Vitas-M small molecule compound
2-(benzylsulfanyl)-N-(3-methoxyphenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Catalog ID
STK232285
SMILES COc1cccc(c1)NC(=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/c1-28-15-9-5-8-14(10-15)21-18(27)16-11-17(26)22-19-23-20(24-25(16)19)29-12-13-6-3-2-4-7-13/h2-10,16H,11-12H2,1H3,(H,21,27)(H,22,23,24,26)InChIKey
QZQHSIUZNBSGID-UHFFFAOYSA-NSynonyms
2(benzylsulfanyl)N(3methoxyphenyl)5oxo4567tetrahydro(124)triazolo(15a)pyrimidine7carboxamide
2benzylsulfanylN(3methoxyphenyl)5oxo67dihydro1H(124)triazolo(15a)pyrimidine7carboxamide
COC1=CC=CC(=C1)NC(=O)C2CC(=O)N=C3N2NC(=N3)SCC4=CC=CC=C4
InChI=1SC20H19N5O3Sc1281595814(1015)2118(27)161117(26)22192320(2425(16)19)2912136324713h21016H1112H21H3(H2127)(H22232426)
MFCD08547090
ZINC000004737148
ZINC000004737149
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