Vitas-M small molecule compound
tetramethyl 6'-[(2-chlorophenyl)carbonyl]-5',5',8',9'-tetramethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK086283
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cc(C)c(c1)C)C(=O)c1ccccc1Cl)SC(=C(S2)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 C33H30ClNO9S3 MW 716.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30ClNO9S3/c1-15-13-18-20(14-16(15)2)35(27(36)17-11-9-10-12-19(17)34)32(3,4)26-21(18)33(22(28(37)41-5)23(45-26)29(38)42-6)46-24(30(39)43-7)25(47-33)31(40)44-8/h9-14H,1-8H3InChIKey
YTTBILFIDNUNFE-UHFFFAOYSA-NSynonyms
CC1=C(C=C2C(=C1)C3=C(C(N2C(=O)C4=CC=CC=C4Cl)(C)C)SC(=C(C35SC(=C(S5)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C
COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cc(C)c(c1)C)C(=O)c1ccccc1Cl)SC(=C(S2)C(=O)OC)C(=O)OC
InChI=1SC33H30ClNO9S3c115131820(1416(15)2)35(27(36)17119101219(17)34)32(34)2621(18)33(22(28(37)415)23(4526)29(38)426)4624(30(39)437)25(4733)31(40)448h914H18H3
MFCD01068081
STK086283
tetramethyl6((2chlorophenyl)carbonyl)5589tetramethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(2chlorobenzoyl)5589tetramethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(2chlorobenzoyl)5589tetramethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000098045431
ZINC98045431
Check stock
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Check stock on Vitas-MAvailable files
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