Vitas-M small molecule compound
(3E)-3-{[1-(3-chloro-4-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-ethyl-5-(morpholin-4-ylsulfonyl)-1,3-dihydro-2H-indol-2-one
Catalog ID
STL448696
SMILES CCN1c2ccc(cc2/C(=C\c2cc(n(c2C)c2ccc(c(c2)Cl)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 C28H30ClN3O4S MW 540.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30ClN3O4S/c1-5-31-27-9-8-23(37(34,35)30-10-12-36-13-11-30)17-24(27)25(28(31)33)15-21-14-19(3)32(20(21)4)22-7-6-18(2)26(29)16-22/h6-9,14-17H,5,10-13H2,1-4H3/b25-15+InChIKey
NKOHMDBDJRQKBN-MFKUBSTISA-NSynonyms
(3E)3((1(3chloro4methylphenyl)25dimethyl1Hpyrrol3yl)methylidene)1ethyl5(morpholin4ylsulfonyl)13dihydro2Hindol2one
(3E)3((1(3chloro4methylphenyl)25dimethylpyrrol3yl)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)Cl)C)C1=O
CCN1c2ccc(cc2C(=Cc2cc(n(c2C)c2ccc(c(c2)Cl)C)C)C1=O)S(=O)(=O)N1CCOCC1
InChI=1SC28H30ClN3O4Sc1531279823(37(3435)30101236131130)1724(27)25(28(31)33)15211419(3)32(20(21)4)227618(2)26(29)1622h691417H51013H214H3b2515+
MFCD30712988
ZINC000101377540
ZINC101377540
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