Vitas-M small molecule compound
2-(benzylsulfanyl)-7-(2-chlorophenyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Catalog ID
STK884368
SMILES COc1ccc(cc1)NC(=O)C1=C(C)Nc2n(C1c1ccccc1Cl)nc(n2)SCc1ccccc1
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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 C27H24ClN5O2S MW 518.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24ClN5O2S/c1-17-23(25(34)30-19-12-14-20(35-2)15-13-19)24(21-10-6-7-11-22(21)28)33-26(29-17)31-27(32-33)36-16-18-8-4-3-5-9-18/h3-15,24H,16H2,1-2H3,(H,30,34)(H,29,31,32)InChIKey
UTCMHCLKCFRJTH-UHFFFAOYSA-NSynonyms
2(benzylsulfanyl)7(2chlorophenyl)N(4methoxyphenyl)5methyl47dihydro(124)triazolo(15a)pyrimidine6carboxamide
2benzylsulfanyl7(2chlorophenyl)N(4methoxyphenyl)5methyl17dihydro(124)triazolo(15a)pyrimidine6carboxamide
CC1=C(C(N2C(=N1)N=C(N2)SCC3=CC=CC=C3)C4=CC=CC=C4Cl)C(=O)NC5=CC=C(C=C5)OC
InChI=1SC27H24ClN5O2Sc11723(25(34)3019121420(352)151319)24(2110671122(21)28)3326(2917)3127(3233)3616188435918h31524H16H212H3(H3034)(H293132)
MFCD18171421
ZINC000040484372
ZINC000040484374
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