Vitas-M small molecule compound
dimethyl 2-{1-[(3,5-dimethoxyphenyl)carbonyl]-2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK012759
SMILES COc1cc(OC)cc(c1)C(=O)N1c2cc(C)ccc2/C(=C\2/SC(=C(S2)C(=O)OC)C(=O)OC)/C(=S)C1(C)C
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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 C28H27NO7S3 MW 585.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27NO7S3/c1-14-8-9-18-19(10-14)29(24(30)15-11-16(33-4)13-17(12-15)34-5)28(2,3)23(37)20(18)27-38-21(25(31)35-6)22(39-27)26(32)36-7/h8-13H,1-7H3InChIKey
CJDBWASLTDPUPJ-UHFFFAOYSA-NSynonyms
CC1=CC2=C(C=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)C4=CC(=CC(=C4)OC)OC)(C)C
COc1cc(OC)cc(c1)C(=O)N1c2cc(C)ccc2C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C(=S)C1(C)C
DIMETHYL2(1((35DIMETHOXYPHENYL)CARBONYL)227TRIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(35DIMETHOXYBENZOYL)227TRIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1(35dimethoxybenzoyl)227trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC28H27NO7S3c114891819(1014)29(24(30)151116(334)1317(1215)345)28(23)23(37)20(18)273821(25(31)356)22(3927)26(32)367h813H17H3
METHYL2(1((35DIMETHOXYPHENYL)CARBONYL)227TRIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD02817126
STK012759
ZINC000100115412
ZINC100115412
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