Vitas-M small molecule compound
dimethyl 2-{1-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]-2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK036536
SMILES COC(=O)C1=C(S/C(=C/2\c3ccc(cc3N(C(C2=S)(C)C)C(=O)C(N2C(=O)c3c(C2=O)cccc3)C)C)/S1)C(=O)OC
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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 C30H26N2O7S3 MW 622.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N2O7S3/c1-14-11-12-18-19(13-14)32(24(33)15(2)31-25(34)16-9-7-8-10-17(16)26(31)35)30(3,4)23(40)20(18)29-41-21(27(36)38-5)22(42-29)28(37)39-6/h7-13,15H,1-6H3InChIKey
FIEWIEJPFDPFBY-UHFFFAOYSA-NSynonyms
CC1=CC2=C(C=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)C(C)N4C(=O)C5=CC=CC=C5C4=O)(C)C
COC(=O)C1=C(SC(=C2c3ccc(cc3N(C(C2=S)(C)C)C(=O)C(N2C(=O)c3c(C2=O)cccc3)C)C)S1)C(=O)OC
DIMETHYL2(1(2(13DIOXO13DIHYDRO2HISOINDOL2YL)PROPANOYL)227TRIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(2(13DIOXOISOINDOL2YL)PROPANOYL)227TRIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC30H26N2O7S3c11411121819(1314)32(24(33)15(2)3125(34)169781017(16)26(31)35)30(34)23(40)20(18)294121(27(36)385)22(4229)28(37)396h71315H16H3
MFCD01363269
STK036536
ZINC000098044819
ZINC000098044820
Check stock
See real-time availability and sample size for STK036536 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.