Vitas-M small molecule compound
(2E)-3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Catalog ID
STK527753
SMILES N#C/C(=C\Nc1cc(ccc1Cl)C(F)(F)F)/c1scc(n1)c1cc2cc(ccc2oc1=O)[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 C22H10ClF3N4O4S MW 518.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H10ClF3N4O4S/c23-16-3-1-13(22(24,25)26)7-17(16)28-9-12(8-27)20-29-18(10-35-20)15-6-11-5-14(30(32)33)2-4-19(11)34-21(15)31/h1-7,9-10,28H/b12-9+InChIKey
RMHSRMJRIYCUHP-FMIVXFBMSA-NSynonyms
(2E)3((2chloro5(trifluoromethyl)phenyl)amino)2(4(6nitro2oxo2Hchromen3yl)13thiazol2yl)prop2enenitrile
(E)3(2CHLORO5(TRIFLUOROMETHYL)ANILINO)2(4(6NITRO2OXOCHROMEN3YL)13THIAZOL2YL)PROP2ENENITRILE
3((2chloro5(trifluoromethyl)phenyl)amino)2(4(6nitro2oxo2Hchromen3yl)thiazol2yl)acrylonitrile
C1=CC(=C(C=C1C(F)(F)F)NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC(=C4)(N+)(=O)(O))OC3=O)Cl
InChI=1SC22H10ClF3N4O4Sc23163113(22(2425)26)717(16)28912(827)202918(103520)15611514(30(32)33)2419(11)3421(15)31h1791028Hb129+
MFCD01943746
N#CC(=CNc1cc(ccc1Cl)C(F)(F)F)c1scc(n1)c1cc2cc(ccc2oc1=O)(N+)(=O)(O)
ZINC000100712783
ZINC100712783
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