Vitas-M small molecule compound
N-(2,4-dimethylphenyl)-5-methyl-2-[(2-methylbenzyl)sulfanyl]-7-(2-methylpropyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Catalog ID
STK884342
SMILES CC(CC1C(=C(C)Nc2n1nc(n2)SCc1ccccc1C)C(=O)Nc1ccc(cc1C)C)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 C27H33N5OS MW 475.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N5OS/c1-16(2)13-23-24(25(33)29-22-12-11-17(3)14-19(22)5)20(6)28-26-30-27(31-32(23)26)34-15-21-10-8-7-9-18(21)4/h7-12,14,16,23H,13,15H2,1-6H3,(H,29,33)(H,28,30,31)InChIKey
DEQIDYVMOSCYNM-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1)NC(=O)C2=C(N=C3N=C(NN3C2CC(C)C)SCC4=CC=CC=C4C)C)C
InChI=1SC27H33N5OSc116(2)132324(25(33)2922121117(3)1419(22)5)20(6)28263027(3132(23)26)3415211087918(21)4h712141623H1315H216H3(H2933)(H283031)
MFCD14748240
N(24dimethylphenyl)5methyl2((2methylbenzyl)sulfanyl)7(2methylpropyl)47dihydro(124)triazolo(15a)pyrimidine6carboxamide
N(24dimethylphenyl)5methyl2((2methylphenyl)methylsulfanyl)7(2methylpropyl)17dihydro(124)triazolo(15a)pyrimidine6carboxamide
ZINC000008594862
ZINC000008594863
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