Vitas-M small molecule compound
(3Z)-3-{[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-methyl-5-(morpholin-4-ylsulfonyl)-1,3-dihydro-2H-indol-2-one
Catalog ID
STL441576
SMILES CN1c2ccc(cc2/C(=C/c2cc(n(c2C)c2ccc(c(c2)C)C)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 C28H31N3O4S MW 505.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O4S/c1-18-6-7-23(14-19(18)2)31-20(3)15-22(21(31)4)16-26-25-17-24(8-9-27(25)29(5)28(26)32)36(33,34)30-10-12-35-13-11-30/h6-9,14-17H,10-13H2,1-5H3/b26-16-InChIKey
OBARBTCCVHBVPV-QQXSKIMKSA-NSynonyms
(3Z)3((1(34dimethylphenyl)25dimethyl1Hpyrrol3yl)methylidene)1methyl5(morpholin4ylsulfonyl)13dihydro2Hindol2one
(3Z)3((1(34DIMETHYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1METHYL5MORPHOLIN4YLSULFONYLINDOL2ONE
CC1=C(C=C(C=C1)N2C(=CC(=C2C)C=C3C4=C(C=CC(=C4)S(=O)(=O)N5CCOCC5)N(C3=O)C)C)C
CN1c2ccc(cc2C(=Cc2cc(n(c2C)c2ccc(c(c2)C)C)C)C1=O)S(=O)(=O)N1CCOCC1
InChI=1SC28H31N3O4Sc1186723(1419(18)2)3120(3)1522(21(31)4)1626251724(8927(25)29(5)28(26)32)36(3334)30101235131130h691417H1013H215H3b2616
MFCD07773966
ZINC000008777656
ZINC8777656
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