Vitas-M small molecule compound
methyl 2-(2,5-dimethyl-3-{(Z)-[1-methyl-5-(morpholin-4-ylsulfonyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]methyl}-1H-pyrrol-1-yl)-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STL448692
SMILES COC(=O)c1c(C)c(sc1n1c(C)cc(c1C)/C=C/1\C(=O)N(c2c1cc(cc2)S(=O)(=O)N1CCOCC1)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 C28H31N3O6S2 MW 569.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O6S2/c1-16-13-20(18(3)31(16)27-25(28(33)36-6)17(2)19(4)38-27)14-23-22-15-21(7-8-24(22)29(5)26(23)32)39(34,35)30-9-11-37-12-10-30/h7-8,13-15H,9-12H2,1-6H3/b23-14-InChIKey
UZWGHHQSOQDAGV-UCQKPKSFSA-NSynonyms
CC1=CC(=C(N1C2=C(C(=C(S2)C)C)C(=O)OC)C)C=C3C4=C(C=CC(=C4)S(=O)(=O)N5CCOCC5)N(C3=O)C
COC(=O)c1c(C)c(sc1n1c(C)cc(c1C)C=C1C(=O)N(c2c1cc(cc2)S(=O)(=O)N1CCOCC1)C)C
InChI=1SC28H31N3O6S2c1161320(18(3)31(16)2725(28(33)366)17(2)19(4)3827)1423221521(7824(22)29(5)26(23)32)39(3435)3091137121030h781315H912H216H3b2314
methyl2(25dimethyl3((Z)(1methyl5(morpholin4ylsulfonyl)2oxo12dihydro3Hindol3ylidene)methyl)1Hpyrrol1yl)45dimethylthiophene3carboxylate
METHYL2(25DIMETHYL3((Z)(1METHYL5MORPHOLIN4YLSULFONYL2OXOINDOL3YLIDENE)METHYL)PYRROL1YL)45DIMETHYLTHIOPHENE3CARBOXYLATE
MFCD05132762
ZINC000101377546
ZINC101377546
Check stock
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Check stock on Vitas-MAvailable files
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