Vitas-M small molecule compound
N-(4-chloro-2,5-dimethoxyphenyl)-7-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Catalog ID
STK185047
SMILES COc1cc(Cl)c(cc1NC(=O)C1=C(C)Nc2n(C1c1ccc(cc1)OCc1c(F)cccc1Cl)ncn2)OC
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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 C28H24Cl2FN5O4 MW 584.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24Cl2FN5O4/c1-15-25(27(37)35-22-12-23(38-2)20(30)11-24(22)39-3)26(36-28(34-15)32-14-33-36)16-7-9-17(10-8-16)40-13-18-19(29)5-4-6-21(18)31/h4-12,14,26H,13H2,1-3H3,(H,35,37)(H,32,33,34)InChIKey
HZZZYNLUXMKDPI-UHFFFAOYSA-NSynonyms
CC1=C(C(N2C(=N1)N=CN2)C3=CC=C(C=C3)OCC4=C(C=CC=C4Cl)F)C(=O)NC5=CC(=C(C=C5OC)Cl)OC
InChI=1SC28H24Cl2FN5O4c11525(27(37)35221223(382)20(30)1124(22)393)26(3628(3415)32143336)167917(10816)40131819(29)54621(18)31h4121426H13H213H3(H3537)(H323334)
MFCD06150972
N(4CHLORO25DIMETHOXYPHENYL)7(4((2CHLORO6FLUOROBENZYL)OXY)PHENYL)5METHYL47DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXAMIDE
N(4chloro25dimethoxyphenyl)7(4((2chloro6fluorophenyl)methoxy)phenyl)5methyl17dihydro(124)triazolo(15a)pyrimidine6carboxamide
ZINC000098043116
ZINC000098043117
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