Vitas-M small molecule compound
dimethyl 2-{1-[(4-chloro-3-nitrophenyl)carbonyl]-2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STL412457
SMILES COC(=O)C1=C(S/C(=C/2\c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)c2ccc(c(c2)[N+](=O)[O-])Cl)/S1)C(=O)OC
Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.
We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C26H21ClN2O7S3 MW 605.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21ClN2O7S3/c1-12-6-9-16-14(10-12)18(25-38-19(23(31)35-4)20(39-25)24(32)36-5)21(37)26(2,3)28(16)22(30)13-7-8-15(27)17(11-13)29(33)34/h6-11H,1-5H3InChIKey
BEYAEFBILOBTSR-UHFFFAOYSA-NSynonyms
CC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C4=CC(=C(C=C4)Cl)(N+)(=O)(O)
COC(=O)C1=C(SC(=C2c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)c2ccc(c(c2)(N+)(=O)(O))Cl)S1)C(=O)OC
dimethyl2(1((4chloro3nitrophenyl)carbonyl)226trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(1(4CHLORO3NITROBENZOYL)226TRIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(4CHLORO3NITROBENZOYL)226TRIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1(4chloro3nitrobenzoyl)226trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC26H21ClN2O7S3c112691614(1012)18(253819(23(31)354)20(3925)24(32)365)21(37)26(23)28(16)22(30)137815(27)17(1113)29(33)34h611H15H3
MFCD01156246
ZINC000008425773
ZINC08425773
ZINC8425773
Check stock
See real-time availability and sample size for STL412457 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.