Vitas-M small molecule compound
6-cyclohexyl 2-methyl 5-methyl-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2,6-dicarboxylate
Catalog ID
STK914920
SMILES COC(=O)c1nn2c(n1)NC(=C(C2c1ccc(cc1)C)C(=O)OC1CCCCC1)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 C22H26N4O4 MW 410.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O4/c1-13-9-11-15(12-10-13)18-17(20(27)30-16-7-5-4-6-8-16)14(2)23-22-24-19(21(28)29-3)25-26(18)22/h9-12,16,18H,4-8H2,1-3H3,(H,23,24,25)InChIKey
USDRTXXXDMZCBC-UHFFFAOYSA-NSynonyms
6cyclohexyl2methyl5methyl7(4methylphenyl)47dihydro(124)triazolo(15a)pyrimidine26dicarboxylate
6OCYCLOHEXYL2OMETHYL5METHYL7(4METHYLPHENYL)17DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE26DICARBOXYLATE
CC1=CC=C(C=C1)C2C(=C(N=C3N2NC(=N3)C(=O)OC)C)C(=O)OC4CCCCC4
InChI=1SC22H26N4O4c11391115(121013)1817(20(27)30167546816)14(2)23222419(21(28)293)2526(18)22h9121618H48H213H3(H232425)
MFCD05031779
ZINC000004875875
ZINC000004875882
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