Vitas-M small molecule compound
tetramethyl 6'-acetyl-5',5',8'-trimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK325146
SMILES COC(=O)C1=C(SC2(S1)C(=C(SC1=C2c2ccc(cc2N(C1(C)C)C(=O)C)C)C(=O)OC)C(=O)OC)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 C27H27NO9S3 MW 605.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27NO9S3/c1-12-9-10-14-15(11-12)28(13(2)29)26(3,4)21-16(14)27(17(22(30)34-5)18(38-21)23(31)35-6)39-19(24(32)36-7)20(40-27)25(33)37-8/h9-11H,1-8H3InChIKey
NBXXIDMHHGKGQW-UHFFFAOYSA-NSynonyms
CC1=CC2=C(C=C1)C3=C(C(N2C(=O)C)(C)C)SC(=C(C34SC(=C(S4)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
InChI=1SC27H27NO9S3c1129101415(1112)28(13(2)29)26(34)2116(14)27(17(22(30)345)18(3821)23(31)356)3919(24(32)367)20(4027)25(33)378h911H18H3
MFCD01086166
tetramethyl6acetyl558trimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6acetyl558trimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6acetyl558trimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000097999379
ZINC97999379
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