Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-ylamino)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Catalog ID
STK838403
SMILES N#C/C(=C\Nc1ccc2c(c1)OCO2)/c1scc(n1)c1ccc(cc1)[N+](=O)[O-]
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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(9-21-14-3-6-17-18(7-14)27-11-26-17)19-22-16(10-28-19)12-1-4-15(5-2-12)23(24)25/h1-7,9-10,21H,11H2/b13-9+InChIKey
FWMMJYSIDUWJCX-UKTHLTGXSA-NSynonyms
377052-68-1(2E)3(13benzodioxol5ylamino)2(4(4nitrophenyl)13thiazol2yl)prop2enenitrile
(E)3(13BENZODIOXOL5YLAMINO)2(4(4NITROPHENYL)13THIAZOL2YL)PROP2ENENITRILE
(E)3(benzo(d)(13)dioxol5ylamino)2(4(4nitrophenyl)thiazol2yl)acrylonitrile
377052681
C1OC2=C(O1)C=C(C=C2)NC=C(C#N)C3=NC(=CS3)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC19H12N4O4Sc20813(92114361718(714)27112617)192216(102819)121415(5212)23(24)25h1791021H11H2b139+
MFCD02983261
N#CC(=CNc1ccc2c(c1)OCO2)c1scc(n1)c1ccc(cc1)(N+)(=O)(O)
ZINC000001309556
ZINC01309556
ZINC1309556
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