Vitas-M small molecule compound
ethyl 2-[(2-chlorobenzyl)sulfanyl]-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STK217675
SMILES CCOC(=O)C1=C(C)Nc2n(C1c1ccccc1)nc(n2)SCc1ccccc1Cl
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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 C22H21ClN4O2S MW 440.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN4O2S/c1-3-29-20(28)18-14(2)24-21-25-22(30-13-16-11-7-8-12-17(16)23)26-27(21)19(18)15-9-5-4-6-10-15/h4-12,19H,3,13H2,1-2H3,(H,24,25,26)InChIKey
WPMVRLFCYFJDLS-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N=C2N=C(NN2C1C3=CC=CC=C3)SCC4=CC=CC=C4Cl)C
ethyl2((2chlorobenzyl)sulfanyl)5methyl7phenyl47dihydro(124)triazolo(15a)pyrimidine6carboxylate
ETHYL2((2CHLOROPHENYL)METHYLSULFANYL)5METHYL7PHENYL17DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
ETHYL2((2CHLOROPHENYL)METHYLTHIO)5METHYL7PHENYL478TRIHYDRO124TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
InChI=1SC22H21ClN4O2Sc132920(28)1814(2)24212522(30131611781217(16)23)2627(21)19(18)1595461015h41219H313H212H3(H242526)
MFCD06599024
ZINC000001282915
ZINC000001282916
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