Vitas-M small molecule compound
tetramethyl 6'-[(4-chlorophenyl)carbamoyl]-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
STK043259
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cc(C)c(c1)C)C(=O)Nc1ccc(cc1)Cl)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 C33H31ClN2O9S3 MW 731.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31ClN2O9S3/c1-15-13-19-20(14-16(15)2)36(31(41)35-18-11-9-17(34)10-12-18)32(3,4)26-21(19)33(22(27(37)42-5)23(46-26)28(38)43-6)47-24(29(39)44-7)25(48-33)30(40)45-8/h9-14H,1-8H3,(H,35,41)InChIKey
UHWKOQPWRSXVBT-UHFFFAOYSA-NSynonyms
CC1=C(C=C2C(=C1)C3=C(C(N2C(=O)NC4=CC=C(C=C4)Cl)(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)Nc1ccc(cc1)Cl)SC(=C(S2)C(=O)OC)C(=O)OC
InChI=1SC33H31ClN2O9S3c115131920(1416(15)2)36(31(41)351811917(34)101218)32(34)2621(19)33(22(27(37)425)23(4626)28(38)436)4724(29(39)447)25(4833)30(40)458h914H18H3(H3541)
MFCD02235821
STK043259
tetramethyl6((4chlorophenyl)carbamoyl)5589tetramethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6((4chlorophenyl)carbamoyl)5589tetramethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6((4chlorophenyl)carbamoyl)5589tetramethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000150420602
ZINC150420602
Check stock
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Check stock on Vitas-MAvailable files
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