Vitas-M small molecule compound

(3E)-3-({2,5-dimethyl-1-[3-nitro-4-(pyrrolidin-1-yl)phenyl]-1H-pyrrol-3-yl}methylidene)-1-ethyl-5-(morpholin-4-ylsulfonyl)-1,3-dihydro-2H-indol-2-one

Catalog ID
STL448725
SMILES CCN1c2ccc(cc2/C(=C\c2cc(n(c2C)c2ccc(c(c2)[N+](=O)[O-])N2CCCC2)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/c1-4-34-28-10-8-25(43(40,41)33-13-15-42-16-14-33)20-26(28)27(31(34)37)18-23-17-21(2)35(22(23)3)24-7-9-29(30(19-24)36(38)39)32-11-5-6-12-32/h7-10,17-20H,4-6,11-16H2,1-3H3/b27-18+
InChIKey
CEMKCBJJHBJWHA-OVVQPSECSA-N
Synonyms

(3E)3((25dimethyl1(3nitro4(pyrrolidin1yl)phenyl)1Hpyrrol3yl)methylidene)1ethyl5(morpholin4ylsulfonyl)13dihydro2Hindol2one
(3E)3((25dimethyl1(3nitro4pyrrolidin1ylphenyl)pyrrol3yl)methylidene)1ethyl5morpholin4ylsulfonylindol2one
CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=CC4=C(N(C(=C4)C)C5=CC(=C(C=C5)N6CCCC6)(N+)(=O)(O))C)C1=O
CCN1c2ccc(cc2C(=Cc2cc(n(c2C)c2ccc(c(c2)(N+)(=O)(O))N2CCCC2)C)C1=O)S(=O)(=O)N1CCOCC1
InChI=1SC31H35N5O6Sc14342810825(43(4041)33131542161433)2026(28)27(31(34)37)18231721(2)35(22(23)3)247929(30(1924)36(38)39)3211561232h7101720H461116H213H3b2718+
MFCD30713004
ZINC000101377499
ZINC101377499

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Available files

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