Vitas-M small molecule compound

butyl 4-(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)benzoate

Catalog ID
STL441588
SMILES CCCCOC(=O)c1ccc(cc1)n1c(C)cc(c1C)/C=C\1/c2cc(ccc2N(C1=O)C)S(=O)(=O)N1CCOCC1

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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 C31H35N3O6S MW 577.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35N3O6S/c1-5-6-15-40-31(36)23-7-9-25(10-8-23)34-21(2)18-24(22(34)3)19-28-27-20-26(11-12-29(27)32(4)30(28)35)41(37,38)33-13-16-39-17-14-33/h7-12,18-20H,5-6,13-17H2,1-4H3/b28-19-
InChIKey
JBXYILBJIBELGM-USHMODERSA-N
Synonyms

butyl4(25dimethyl3((Z)(1methyl5(morpholin4ylsulfonyl)2oxo12dihydro3Hindol3ylidene)methyl)1Hpyrrol1yl)benzoate
BUTYL4(25DIMETHYL3((Z)(1METHYL5MORPHOLIN4YLSULFONYL2OXOINDOL3YLIDENE)METHYL)PYRROL1YL)BENZOATE
CCCCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C4=C(C=CC(=C4)S(=O)(=O)N5CCOCC5)N(C3=O)C)C
CCCCOC(=O)c1ccc(cc1)n1c(C)cc(c1C)C=C1c2cc(ccc2N(C1=O)C)S(=O)(=O)N1CCOCC1
InChI=1SC31H35N3O6Sc156154031(36)237925(10823)3421(2)1824(22(34)3)1928272026(111229(27)32(4)30(28)35)41(3738)33131639171433h7121820H561317H214H3b2819
MFCD07773975
ZINC000008777677
ZINC8777677

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Available files

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