Vitas-M small molecule compound
2-[5-methyl-2-(4-methylphenyl)-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethyl cyclohexanecarboxylate
Catalog ID
STK228991
SMILES O=C(C1CCCCC1)OCCc1c(C)[nH]c2n(c1=O)nc(n2)c1ccc(cc1)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 C22H26N4O3 MW 394.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O3/c1-14-8-10-16(11-9-14)19-24-22-23-15(2)18(20(27)26(22)25-19)12-13-29-21(28)17-6-4-3-5-7-17/h8-11,17H,3-7,12-13H2,1-2H3,(H,23,24,25)InChIKey
JZWDKLBCQPMFTQ-UHFFFAOYSA-NSynonyms
2(5METHYL2(4METHYLPHENYL)7OXO1H(124)TRIAZOLO(15A)PYRIMIDIN6YL)ETHYLCYCLOHEXANECARBOXYLATE
2(5METHYL2(4METHYLPHENYL)7OXO47DIHYDRO(124)TRIAZOLO(15A)PYRIMIDIN6YL)ETHYLCYCLOHEXANECARBOXYLATE
CC1=CC=C(C=C1)C2=NC3=NC(=C(C(=O)N3N2)CCOC(=O)C4CCCCC4)C
InChI=1SC22H26N4O3c11481016(11914)1924222315(2)18(20(27)26(22)2519)12132921(28)176435717h81117H371213H212H3(H232425)
MFCD07792346
O=C(C1CCCCC1)OCCc1c(C)(nH)c2n(c1=O)nc(n2)c1ccc(cc1)C
ZINC000100650733
ZINC100650733
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