Vitas-M small molecule compound
(2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(3-nitrophenyl)amino]prop-2-enenitrile
Catalog ID
STK898378
SMILES N#C/C(=C\Nc1cccc(c1)[N+](=O)[O-])/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 C19H12N4O4S MW 392.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H12N4O4S/c20-8-13(9-21-14-2-1-3-15(7-14)23(24)25)19-22-16(10-28-19)12-4-5-17-18(6-12)27-11-26-17/h1-7,9-10,21H,11H2/b13-9+InChIKey
DOUZNRWIAPCQDW-UKTHLTGXSA-NSynonyms
476676-83-2(2E)2(4(13benzodioxol5yl)13thiazol2yl)3((3nitrophenyl)amino)prop2enenitrile
(E)2(4(13BENZODIOXOL5YL)13THIAZOL2YL)3(3NITROANILINO)PROP2ENENITRILE
476676832
C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)C(=CNC4=CC(=CC=C4)(N+)(=O)(O))C#N
InChI=1SC19H12N4O4Sc20813(9211421315(714)23(24)25)192216(102819)12451718(612)27112617h1791021H11H2b139+
MFCD04416851
N#CC(=CNc1cccc(c1)(N+)(=O)(O))c1scc(n1)c1ccc2c(c1)OCO2
ZINC000006045201
ZINC06045201
ZINC6045201
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