Vitas-M small molecule compound
2-(3-{(1E)-2-cyano-3-[(furan-2-ylmethyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK182991
SMILES N#C/C(=C\c1cc(n(c1C)c1sc2c(c1C(=O)Nc1ccccc1)CCCC2)C)/C(=O)NCc1ccco1
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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 C30H28N4O3S MW 524.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N4O3S/c1-19-15-21(16-22(17-31)28(35)32-18-24-11-8-14-37-24)20(2)34(19)30-27(25-12-6-7-13-26(25)38-30)29(36)33-23-9-4-3-5-10-23/h3-5,8-11,14-16H,6-7,12-13,18H2,1-2H3,(H,32,35)(H,33,36)/b22-16+InChIKey
UYVBADUFXWFGEJ-CJLVFECKSA-NSynonyms
2(3((1E)2cyano3((furan2ylmethyl)amino)3oxoprop1en1yl)25dimethyl1Hpyrrol1yl)Nphenyl4567tetrahydro1benzothiophene3carboxamide
2(3((E)2cyano3(furan2ylmethylamino)3oxoprop1enyl)25dimethylpyrrol1yl)Nphenyl4567tetrahydro1benzothiophene3carboxamide
CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C(=O)NC4=CC=CC=C4)C)C=C(C#N)C(=O)NCC5=CC=CO5
InChI=1SC30H28N4O3Sc1191521(1622(1731)28(35)321824118143724)20(2)34(19)3027(2512671326(25)3830)29(36)332394351023h358111416H67121318H212H3(H3235)(H3336)b2216+
MFCD03834863
N#CC(=Cc1cc(n(c1C)c1sc2c(c1C(=O)Nc1ccccc1)CCCC2)C)C(=O)NCc1ccco1
ZINC000009262727
ZINC09262727
ZINC9262727
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