Vitas-M small molecule compound
(2E)-2-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}-3-(2-nitrophenyl)prop-2-enenitrile
Catalog ID
STK898568
SMILES N#C/C(=C\c1ccccc1[N+](=O)[O-])/c1scc(n1)c1ccc(cc1)CC(C)C
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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 C22H19N3O2S MW 389.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O2S/c1-15(2)11-16-7-9-17(10-8-16)20-14-28-22(24-20)19(13-23)12-18-5-3-4-6-21(18)25(26)27/h3-10,12,14-15H,11H2,1-2H3/b19-12+InChIKey
YVKGMVWHWWDRCI-XDHOZWIPSA-NSynonyms
(2E)2(4(4(2methylpropyl)phenyl)13thiazol2yl)3(2nitrophenyl)prop2enenitrile
(E)2(4(4(2methylpropyl)phenyl)13thiazol2yl)3(2nitrophenyl)prop2enenitrile
CC(C)CC1=CC=C(C=C1)C2=CSC(=N2)C(=CC3=CC=CC=C3(N+)(=O)(O))C#N
InChI=1SC22H19N3O2Sc115(2)11167917(10816)20142822(2420)19(1323)1218534621(18)25(26)27h310121415H11H212H3b1912+
MFCD18173071
N#CC(=Cc1ccccc1(N+)(=O)(O))c1scc(n1)c1ccc(cc1)CC(C)C
ZINC000006616467
ZINC06616467
ZINC6616467
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