Vitas-M small molecule compound
(2E)-N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(2-methoxyphenyl)prop-2-enamide
Catalog ID
STK651778
SMILES COc1ccccc1/C=C/C(=O)Nc1nn2c(=NC(=CC2c2ccc(cc2)F)c2ccc(cc2)Cl)[nH]1
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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 C27H21ClFN5O2 MW 501.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21ClFN5O2/c1-36-24-5-3-2-4-19(24)10-15-25(35)31-26-32-27-30-22(17-6-11-20(28)12-7-17)16-23(34(27)33-26)18-8-13-21(29)14-9-18/h2-16,23H,1H3,(H2,30,31,32,33,35)/b15-10+InChIKey
ZTJJYQNEZHCBJW-XNTDXEJSSA-NSynonyms
836625-60-6(2E)N(5(4chlorophenyl)7(4fluorophenyl)37dihydro(124)triazolo(15a)pyrimidin2yl)3(2methoxyphenyl)prop2enamide
(E)N(5(4CHLOROPHENYL)7(4FLUOROPHENYL)17DIHYDRO(124)TRIAZOLO(15A)PYRIMIDIN2YL)3(2METHOXYPHENYL)PROP2ENAMIDE
836625606
COC1=CC=CC=C1C=CC(=O)NC2=NC3=NC(=CC(N3N2)C4=CC=C(C=C4)F)C5=CC=C(C=C5)Cl
COc1ccccc1C=CC(=O)Nc1nn2c(=NC(=CC2c2ccc(cc2)F)c2ccc(cc2)Cl)(nH)1
InChI=1SC27H21ClFN5O2c13624532419(24)101525(35)312632273022(1761120(28)12717)1623(34(27)3326)1881321(29)14918h21623H1H3(H23031323335)b1510+
MFCD18166097
ZINC000002250282
ZINC000002250284
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