Vitas-M small molecule compound
dimethyl 2-[1-(1,3-benzodioxol-5-ylcarbonyl)-6-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK085886
SMILES COC(=O)C1=C(S/C(=C/2\c3cc(OC)ccc3N(C(C2=S)(C)C)C(=O)c2ccc3c(c2)OCO3)/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 C27H23NO8S3 MW 585.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23NO8S3/c1-27(2)22(37)19(26-38-20(24(30)33-4)21(39-26)25(31)34-5)15-11-14(32-3)7-8-16(15)28(27)23(29)13-6-9-17-18(10-13)36-12-35-17/h6-11H,12H2,1-5H3InChIKey
QKWOZJZKSQKOKL-UHFFFAOYSA-NSynonyms
CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=C(N1C(=O)C4=CC5=C(C=C4)OCO5)C=CC(=C3)OC)C
COC(=O)C1=C(SC(=C2c3cc(OC)ccc3N(C(C2=S)(C)C)C(=O)c2ccc3c(c2)OCO3)S1)C(=O)OC
DIMETHYL2(1(13BENZODIOXOL5YLCARBONYL)6METHOXY22DIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(13BENZODIOXOL5YLCARBONYL)6METHOXY22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(13BENZODIOXOLE5CARBONYL)6METHOXY22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1(benzo(d)(13)dioxole5carbonyl)6methoxy22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC27H23NO8S3c127(2)22(37)19(263820(24(30)334)21(3926)25(31)345)151114(323)7816(15)28(27)23(29)13691718(1013)36123517h611H12H215H3
MFCD01543023
STK085886
ZINC000008444236
ZINC08444236
ZINC8444236
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