Vitas-M small molecule compound
2-[(2,4-dimethylbenzyl)sulfanyl]-5-methyl-7-[4-(methylsulfanyl)phenyl]-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Catalog ID
STK884315
SMILES CSc1ccc(cc1)C1C(=C(C)Nc2n1nc(n2)SCc1ccc(cc1C)C)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 C29H29N5OS2 MW 527.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N5OS2/c1-18-10-11-22(19(2)16-18)17-37-29-32-28-30-20(3)25(27(35)31-23-8-6-5-7-9-23)26(34(28)33-29)21-12-14-24(36-4)15-13-21/h5-16,26H,17H2,1-4H3,(H,31,35)(H,30,32,33)InChIKey
HQECWCLVJUOJDN-UHFFFAOYSA-NSynonyms
2((24dimethylbenzyl)sulfanyl)5methyl7(4(methylsulfanyl)phenyl)Nphenyl47dihydro(124)triazolo(15a)pyrimidine6carboxamide
2((24dimethylphenyl)methylsulfanyl)5methyl7(4methylsulfanylphenyl)Nphenyl17dihydro(124)triazolo(15a)pyrimidine6carboxamide
CC1=CC(=C(C=C1)CSC2=NC3=NC(=C(C(N3N2)C4=CC=C(C=C4)SC)C(=O)NC5=CC=CC=C5)C)C
InChI=1SC29H29N5OS2c118101122(19(2)1618)17372932283020(3)25(27(35)31238657923)26(34(28)3329)21121424(364)151321h51626H17H214H3(H3135)(H303233)
MFCD14731258
ZINC000032955091
ZINC000032955093
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