Vitas-M small molecule compound
2-(benzylsulfanyl)-N-(2-methoxyphenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Catalog ID
STK232288
SMILES COc1ccccc1NC(=O)C1CC(=O)Nc2n1nc(n2)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 C20H19N5O3S MW 409.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O3S/c1-28-16-10-6-5-9-14(16)21-18(27)15-11-17(26)22-19-23-20(24-25(15)19)29-12-13-7-3-2-4-8-13/h2-10,15H,11-12H2,1H3,(H,21,27)(H,22,23,24,26)InChIKey
VGVPQOGCSGRSOI-UHFFFAOYSA-NSynonyms
2(benzylsulfanyl)N(2methoxyphenyl)5oxo4567tetrahydro(124)triazolo(15a)pyrimidine7carboxamide
2benzylsulfanylN(2methoxyphenyl)5oxo67dihydro1H(124)triazolo(15a)pyrimidine7carboxamide
COC1=CC=CC=C1NC(=O)C2CC(=O)N=C3N2NC(=N3)SCC4=CC=CC=C4
InChI=1SC20H19N5O3Sc128161065914(16)2118(27)151117(26)22192320(2425(15)19)2912137324813h21015H1112H21H3(H2127)(H22232426)
MFCD08088719
ZINC000008914148
ZINC000008914149
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