Vitas-M small molecule compound
2-[2-(3,4-dimethoxyphenyl)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethyl naphthalene-1-carboxylate
Catalog ID
STK228997
SMILES COc1cc(ccc1OC)c1nn2c(n1)[nH]c(c(c2=O)CCOC(=O)c1cccc2c1cccc2)C
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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 C27H24N4O5 MW 484.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N4O5/c1-16-19(13-14-36-26(33)21-10-6-8-17-7-4-5-9-20(17)21)25(32)31-27(28-16)29-24(30-31)18-11-12-22(34-2)23(15-18)35-3/h4-12,15H,13-14H2,1-3H3,(H,28,29,30)InChIKey
GHQHLFYPTKHDPS-UHFFFAOYSA-NSynonyms
2(2(34dimethoxyphenyl)5methyl7oxo1H(124)triazolo(15a)pyrimidin6yl)ethylnaphthalene1carboxylate
2(2(34DIMETHOXYPHENYL)5METHYL7OXO47DIHYDRO(124)TRIAZOLO(15A)PYRIMIDIN6YL)ETHYLNAPHTHALENE1CARBOXYLATE
CC1=C(C(=O)N2C(=N1)N=C(N2)C3=CC(=C(C=C3)OC)OC)CCOC(=O)C4=CC=CC5=CC=CC=C54
COc1cc(ccc1OC)c1nn2c(n1)(nH)c(c(c2=O)CCOC(=O)c1cccc2c1cccc2)C
InChI=1SC27H24N4O5c11619(13143626(33)21106817745920(17)21)25(32)3127(2816)2924(3031)18111222(342)23(1518)353h41215H1314H213H3(H282930)
MFCD08671966
ZINC000009289278
ZINC9289278
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