Vitas-M small molecule compound
4-{(1E)-3-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-cyano-3-oxoprop-1-en-1-yl}phenyl benzoate
Catalog ID
STK867434
SMILES N#C/C(=C\c1ccc(cc1)OC(=O)c1ccccc1)/C(=O)Nc1sc2c(c1C(=O)N)CCCC2
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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 C26H21N3O4S MW 471.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21N3O4S/c27-15-18(24(31)29-25-22(23(28)30)20-8-4-5-9-21(20)34-25)14-16-10-12-19(13-11-16)33-26(32)17-6-2-1-3-7-17/h1-3,6-7,10-14H,4-5,8-9H2,(H2,28,30)(H,29,31)/b18-14+InChIKey
SOLTZFYKIZUTEG-NBVRZTHBSA-NSynonyms
469875-04-5(4((E)3((3carbamoyl4567tetrahydro1benzothiophen2yl)amino)2cyano3oxoprop1enyl)phenyl)benzoate
(E)4(3((3carbamoyl4567tetrahydrobenzo(b)thiophen2yl)amino)2cyano3oxoprop1en1yl)phenylbenzoate
4((1E)3((3carbamoyl4567tetrahydro1benzothiophen2yl)amino)2cyano3oxoprop1en1yl)phenylbenzoate
469875045
C1CCC2=C(C1)C(=C(S2)NC(=O)C(=CC3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)C#N)C(=O)N
InChI=1SC26H21N3O4Sc271518(24(31)292522(23(28)30)20845921(20)3425)1416101219(131116)3326(32)176213717h13671014H4589H2(H22830)(H2931)b1814+
MFCD02364636
N#CC(=Cc1ccc(cc1)OC(=O)c1ccccc1)C(=O)Nc1sc2c(c1C(=O)N)CCCC2
ZINC000001773203
ZINC01773203
ZINC1773203
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