Vitas-M small molecule compound
(2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enenitrile
Catalog ID
STK835193
SMILES N#C/C(=C\c1cccc(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 C19H11N3O4S MW 377.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H11N3O4S/c20-9-14(6-12-2-1-3-15(7-12)22(23)24)19-21-16(10-27-19)13-4-5-17-18(8-13)26-11-25-17/h1-8,10H,11H2/b14-6+InChIKey
ASZFGOAUCZWGOO-MKMNVTDBSA-NSynonyms
(2E)2(4(13benzodioxol5yl)13thiazol2yl)3(3nitrophenyl)prop2enenitrile
(E)2(4(13BENZODIOXOL5YL)13THIAZOL2YL)3(3NITROPHENYL)PROP2ENENITRILE
(E)2(4(benzo(d)(13)dioxol5yl)thiazol2yl)3(3nitrophenyl)acrylonitrile
C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)C(=CC4=CC(=CC=C4)(N+)(=O)(O))C#N
InChI=1SC19H11N3O4Sc20914(61221315(712)22(23)24)192116(102719)13451718(813)26112517h1810H11H2b146+
MFCD01469875
N#CC(=Cc1cccc(c1)(N+)(=O)(O))c1scc(n1)c1ccc2c(c1)OCO2
ZINC000004834636
ZINC04834636
ZINC4834636
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