Vitas-M small molecule compound
(2E)-N-[7-(4-fluorophenyl)-5-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(4-methoxyphenyl)prop-2-enamide
Catalog ID
STK650017
SMILES COc1ccc(cc1)/C=C/C(=O)Nc1nn2c(=NC(=CC2c2ccc(cc2)F)c2ccccc2)[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 C27H22FN5O2 MW 467.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22FN5O2/c1-35-22-14-7-18(8-15-22)9-16-25(34)30-26-31-27-29-23(19-5-3-2-4-6-19)17-24(33(27)32-26)20-10-12-21(28)13-11-20/h2-17,24H,1H3,(H2,29,30,31,32,34)/b16-9+InChIKey
KQKWMCZTOKOMDC-CXUHLZMHSA-NSynonyms
839702-93-1(2E)N(7(4fluorophenyl)5phenyl37dihydro(124)triazolo(15a)pyrimidin2yl)3(4methoxyphenyl)prop2enamide
(E)N(7(4FLUOROPHENYL)5PHENYL17DIHYDRO(124)TRIAZOLO(15A)PYRIMIDIN2YL)3(4METHOXYPHENYL)PROP2ENAMIDE
839702931
COC1=CC=C(C=C1)C=CC(=O)NC2=NC3=NC(=CC(N3N2)C4=CC=C(C=C4)F)C5=CC=CC=C5
COc1ccc(cc1)C=CC(=O)Nc1nn2c(=NC(=CC2c2ccc(cc2)F)c2ccccc2)(nH)1
InChI=1SC27H22FN5O2c1352214718(81522)91625(34)302631272923(195324619)1724(33(27)3226)20101221(28)131120h21724H1H3(H22930313234)b169+
MFCD18165472
ZINC000002255360
ZINC000002255362
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