Vitas-M small molecule compound
2-(benzylsulfanyl)-7-(4-ethylphenyl)-5-methyl-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Catalog ID
STL221588
SMILES CCc1ccc(cc1)C1C(=C(C)Nc2n1nc(n2)SCc1ccccc1)C(=O)Nc1ccccc1
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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 C28H27N5OS MW 481.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5OS/c1-3-20-14-16-22(17-15-20)25-24(26(34)30-23-12-8-5-9-13-23)19(2)29-27-31-28(32-33(25)27)35-18-21-10-6-4-7-11-21/h4-17,25H,3,18H2,1-2H3,(H,30,34)(H,29,31,32)InChIKey
ICUCJTVLFONUHF-UHFFFAOYSA-NSynonyms
2(benzylsulfanyl)7(4ethylphenyl)5methylNphenyl47dihydro(124)triazolo(15a)pyrimidine6carboxamide
2benzylsulfanyl7(4ethylphenyl)5methylNphenyl17dihydro(124)triazolo(15a)pyrimidine6carboxamide
CCC1=CC=C(C=C1)C2C(=C(N=C3N2NC(=N3)SCC4=CC=CC=C4)C)C(=O)NC5=CC=CC=C5
InChI=1SC28H27N5OSc1320141622(171520)2524(26(34)3023128591323)19(2)29273128(3233(25)27)351821106471121h41725H318H212H3(H3034)(H293132)
MFCD08832213
ZINC000009597490
ZINC000009597491
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