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-(2-methoxyphenyl)prop-2-enamide
Catalog ID
STK598182
SMILES COc1ccccc1/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/c1-35-24-10-6-5-9-20(24)13-16-25(34)30-26-31-27-29-22(18-7-3-2-4-8-18)17-23(33(27)32-26)19-11-14-21(28)15-12-19/h2-17,23H,1H3,(H2,29,30,31,32,34)/b16-13+InChIKey
HSMYSPQKLCGUNK-DTQAZKPQSA-NSynonyms
836640-96-1(2E)N(7(4fluorophenyl)5phenyl37dihydro(124)triazolo(15a)pyrimidin2yl)3(2methoxyphenyl)prop2enamide
(E)N(7(4FLUOROPHENYL)5PHENYL17DIHYDRO(124)TRIAZOLO(15A)PYRIMIDIN2YL)3(2METHOXYPHENYL)PROP2ENAMIDE
836640961
COC1=CC=CC=C1C=CC(=O)NC2=NC3=NC(=CC(N3N2)C4=CC=C(C=C4)F)C5=CC=CC=C5
COc1ccccc1C=CC(=O)Nc1nn2c(=NC(=CC2c2ccc(cc2)F)c2ccccc2)(nH)1
InChI=1SC27H22FN5O2c135241065920(24)131625(34)302631272922(187324818)1723(33(27)3226)19111421(28)151219h21723H1H3(H22930313234)b1613+
MFCD07205267
ZINC000009331033
ZINC000009331035
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