Vitas-M small molecule compound
(2E)-3-[(4-acetylphenyl)amino]-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Catalog ID
STK535702
SMILES N#C/C(=C\Nc1ccc(cc1)C(=O)C)/c1scc(n1)c1ccc2c(c1)OCO2
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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 C21H15N3O3S MW 389.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15N3O3S/c1-13(25)14-2-5-17(6-3-14)23-10-16(9-22)21-24-18(11-28-21)15-4-7-19-20(8-15)27-12-26-19/h2-8,10-11,23H,12H2,1H3/b16-10+InChIKey
BFVLOZJNEHRLSQ-MHWRWJLKSA-NSynonyms
(2E)3((4acetylphenyl)amino)2(4(13benzodioxol5yl)13thiazol2yl)prop2enenitrile
(E)3((4acetylphenyl)amino)2(4(benzo(d)(13)dioxol5yl)thiazol2yl)acrylonitrile
(E)3(4ACETYLANILINO)2(4(13BENZODIOXOL5YL)13THIAZOL2YL)PROP2ENENITRILE
CC(=O)C1=CC=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=C3)OCO4
InChI=1SC21H15N3O3Sc113(25)142517(6314)231016(922)212418(112821)15471920(815)27122619h28101123H12H21H3b1610+
MFCD02983420
N#CC(=CNc1ccc(cc1)C(=O)C)c1scc(n1)c1ccc2c(c1)OCO2
ZINC000004333009
ZINC04333009
ZINC4333009
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