Vitas-M small molecule compound
N-(4-chlorophenyl)-7-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Catalog ID
STK199561
SMILES COc1cc(ccc1OCc1ccc(cc1)F)C1C(=C(C)Nc2n1ncn2)C(=O)Nc1ccc(cc1)Cl
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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 C27H23ClFN5O3 MW 519.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClFN5O3/c1-16-24(26(35)33-21-10-6-19(28)7-11-21)25(34-27(32-16)30-15-31-34)18-5-12-22(23(13-18)36-2)37-14-17-3-8-20(29)9-4-17/h3-13,15,25H,14H2,1-2H3,(H,33,35)(H,30,31,32)InChIKey
HVOWHKFWFAWMJW-UHFFFAOYSA-NSynonyms
CC1=C(C(N2C(=N1)N=CN2)C3=CC(=C(C=C3)OCC4=CC=C(C=C4)F)OC)C(=O)NC5=CC=C(C=C5)Cl
InChI=1SC27H23ClFN5O3c11624(26(35)332110619(28)71121)25(3427(3216)30153134)1851222(23(1318)362)3714173820(29)9417h3131525H14H212H3(H3335)(H303132)
MFCD06136063
N(4CHLOROPHENYL)7(4((4FLUOROBENZYL)OXY)3METHOXYPHENYL)5METHYL47DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXAMIDE
N(4chlorophenyl)7(4((4fluorophenyl)methoxy)3methoxyphenyl)5methyl17dihydro(124)triazolo(15a)pyrimidine6carboxamide
ZINC000009934716
ZINC000009934717
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