Vitas-M small molecule compound
(3E)-3-({2,5-dimethyl-1-[3-nitro-4-(piperidin-1-yl)phenyl]-1H-pyrrol-3-yl}methylidene)-1-methyl-5-(morpholin-4-ylsulfonyl)-1,3-dihydro-2H-indol-2-one
Catalog ID
STL448686
SMILES CN1c2ccc(cc2/C(=C\c2cc(n(c2C)c2ccc(c(c2)[N+](=O)[O-])N2CCCCC2)C)/C1=O)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 C31H35N5O6S MW 605.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35N5O6S/c1-21-17-23(22(2)35(21)24-7-9-29(30(19-24)36(38)39)33-11-5-4-6-12-33)18-27-26-20-25(8-10-28(26)32(3)31(27)37)43(40,41)34-13-15-42-16-14-34/h7-10,17-20H,4-6,11-16H2,1-3H3/b27-18+InChIKey
AIXBNGYVQADHJR-OVVQPSECSA-NSynonyms
(3E)3((25dimethyl1(3nitro4(piperidin1yl)phenyl)1Hpyrrol3yl)methylidene)1methyl5(morpholin4ylsulfonyl)13dihydro2Hindol2one
(3E)3((25dimethyl1(3nitro4piperidin1ylphenyl)pyrrol3yl)methylidene)1methyl5morpholin4ylsulfonylindol2one
CC1=CC(=C(N1C2=CC(=C(C=C2)N3CCCCC3)(N+)(=O)(O))C)C=C4C5=C(C=CC(=C5)S(=O)(=O)N6CCOCC6)N(C4=O)C
CN1c2ccc(cc2C(=Cc2cc(n(c2C)c2ccc(c(c2)(N+)(=O)(O))N2CCCCC2)C)C1=O)S(=O)(=O)N1CCOCC1
InChI=1SC31H35N5O6Sc1211723(22(2)35(21)247929(30(1924)36(38)39)33115461233)1827262025(81028(26)32(3)31(27)37)43(4041)34131542161434h7101720H461116H213H3b2718+
MFCD30712983
ZINC000101377567
ZINC101377567
Check stock
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Check stock on Vitas-MAvailable files
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