Vitas-M small molecule compound
methyl 4-(3-{(1E)-2-cyano-3-oxo-3-[(thiophen-2-ylmethyl)amino]prop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Catalog ID
STK105877
SMILES N#C/C(=C\c1cc(n(c1C)c1ccc(cc1)C(=O)OC)C)/C(=O)NCc1cccs1
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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 C23H21N3O3S MW 419.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O3S/c1-15-11-18(12-19(13-24)22(27)25-14-21-5-4-10-30-21)16(2)26(15)20-8-6-17(7-9-20)23(28)29-3/h4-12H,14H2,1-3H3,(H,25,27)/b19-12+InChIKey
WFLMJCPXGCFFCR-XDHOZWIPSA-NSynonyms
CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C=C(C#N)C(=O)NCC3=CC=CS3
InChI=1SC23H21N3O3Sc1151118(1219(1324)22(27)25142154103021)16(2)26(15)208617(7920)23(28)293h412H14H213H3(H2527)b1912+
METHYL4(3((1E)2CYANO3OXO3((THIOPHEN2YLMETHYL)AMINO)PROP1EN1YL)25DIMETHYL1HPYRROL1YL)BENZOATE
METHYL4(3((E)2CYANO3OXO3(THIOPHEN2YLMETHYLAMINO)PROP1ENYL)25DIMETHYLPYRROL1YL)BENZOATE
MFCD02195555
N#CC(=Cc1cc(n(c1C)c1ccc(cc1)C(=O)OC)C)C(=O)NCc1cccs1
ZINC000004674854
ZINC04674854
ZINC4674854
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