Vitas-M small molecule compound
(3E)-3-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-1-ethyl-5-(morpholin-4-ylsulfonyl)-1,3-dihydro-2H-indol-2-one
Catalog ID
STL448694
SMILES CCN1c2ccc(cc2/C(=C\c2cc(n(c2C)c2ccc(cc2)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/c1-5-30-27-11-10-24(36(33,34)29-12-14-35-15-13-29)18-25(27)26(28(30)32)17-22-16-20(3)31(21(22)4)23-8-6-19(2)7-9-23/h6-11,16-18H,5,12-15H2,1-4H3/b26-17+InChIKey
BPFKVJMIJRRDMM-YZSQISJMSA-NSynonyms
(3E)3((25dimethyl1(4methylphenyl)1Hpyrrol3yl)methylidene)1ethyl5(morpholin4ylsulfonyl)13dihydro2Hindol2one
(3E)3((25dimethyl1(4methylphenyl)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)C)C)C1=O
CCN1c2ccc(cc2C(=Cc2cc(n(c2C)c2ccc(cc2)C)C)C1=O)S(=O)(=O)N1CCOCC1
InChI=1SC28H31N3O4Sc153027111024(36(3334)29121435151329)1825(27)26(28(30)32)17221620(3)31(21(22)4)238619(2)7923h6111618H51215H214H3b2617+
MFCD30712986
ZINC000033592459
ZINC33592459
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