Vitas-M small molecule compound
2-[({5-[2-(4-chlorophenyl)cyclopropyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STL391094
SMILES CCn1c(nnc1C1CC1c1ccc(cc1)Cl)SCc1nn2c(n1)c1cnn(c1nc2)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 C21H20ClN9S MW 465.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN9S/c1-3-30-20(15-8-14(15)12-4-6-13(22)7-5-12)26-27-21(30)32-10-17-25-19-16-9-24-29(2)18(16)23-11-31(19)28-17/h4-7,9,11,14-15H,3,8,10H2,1-2H3InChIKey
HWHCJKOVSOOKMP-UHFFFAOYSA-NSynonyms
832114-45-12(((5(2(4chlorophenyl)cyclopropyl)4ethyl4H124triazol3yl)sulfanyl)methyl)7methyl7Hpyrazolo(43e)(124)triazolo(15c)pyrimidine
832114451
CCN1C(=NN=C1SCC2=NN3C=NC4=C(C3=N2)C=NN4C)C5CC5C6=CC=C(C=C6)Cl
InChI=1SC21H20ClN9Sc133020(15814(15)124613(22)7512)262721(30)32101725191692429(2)18(16)231131(19)2817h479111415H3810H212H3
MFCD04052899
ZINC000002802593
ZINC000002802596
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