Vitas-M small molecule compound
2-(benzylsulfanyl)-N-(2,4-dimethylphenyl)-5-methyl-7-[4-(methylsulfanyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Catalog ID
STK884361
SMILES CSc1ccc(cc1)C1C(=C(C)Nc2n1nc(n2)SCc1ccccc1)C(=O)Nc1ccc(cc1C)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 C29H29N5OS2 MW 527.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N5OS2/c1-18-10-15-24(19(2)16-18)31-27(35)25-20(3)30-28-32-29(37-17-21-8-6-5-7-9-21)33-34(28)26(25)22-11-13-23(36-4)14-12-22/h5-16,26H,17H2,1-4H3,(H,31,35)(H,30,32,33)InChIKey
ZFUYBAQWNAREAV-UHFFFAOYSA-NSynonyms
2(benzylsulfanyl)N(24dimethylphenyl)5methyl7(4(methylsulfanyl)phenyl)47dihydro(124)triazolo(15a)pyrimidine6carboxamide
2benzylsulfanylN(24dimethylphenyl)5methyl7(4methylsulfanylphenyl)17dihydro(124)triazolo(15a)pyrimidine6carboxamide
CC1=CC(=C(C=C1)NC(=O)C2=C(N=C3N=C(NN3C2C4=CC=C(C=C4)SC)SCC5=CC=CC=C5)C)C
InChI=1SC29H29N5OS2c118101524(19(2)1618)3127(35)2520(3)30283229(3717218657921)3334(28)26(25)22111323(364)141222h51626H17H214H3(H3135)(H303233)
MFCD14731082
ZINC000009597442
ZINC000009597443
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