Vitas-M small molecule compound
2-(benzylsulfanyl)-N-(3,5-dimethylphenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Catalog ID
STK232293
SMILES O=C1Nc2nc(nn2C(C1)C(=O)Nc1cc(C)cc(c1)C)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 C21H21N5O2S MW 407.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O2S/c1-13-8-14(2)10-16(9-13)22-19(28)17-11-18(27)23-20-24-21(25-26(17)20)29-12-15-6-4-3-5-7-15/h3-10,17H,11-12H2,1-2H3,(H,22,28)(H,23,24,25,27)InChIKey
CXPAAEZQYXGSTO-UHFFFAOYSA-NSynonyms
2(benzylsulfanyl)N(35dimethylphenyl)5oxo4567tetrahydro(124)triazolo(15a)pyrimidine7carboxamide
2benzylsulfanylN(35dimethylphenyl)5oxo67dihydro1H(124)triazolo(15a)pyrimidine7carboxamide
CC1=CC(=CC(=C1)NC(=O)C2CC(=O)N=C3N2NC(=N3)SCC4=CC=CC=C4)C
InChI=1SC21H21N5O2Sc113814(2)1016(913)2219(28)171118(27)23202421(2526(17)20)2912156435715h31017H1112H212H3(H2228)(H23242527)
MFCD08088733
ZINC000004737154
ZINC000004737155
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