Vitas-M small molecule compound
2-(benzylsulfanyl)-N-(2-methylphenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Catalog ID
STK232291
SMILES O=C1Nc2nc(nn2C(C1)C(=O)Nc1ccccc1C)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 C20H19N5O2S MW 393.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O2S/c1-13-7-5-6-10-15(13)21-18(27)16-11-17(26)22-19-23-20(24-25(16)19)28-12-14-8-3-2-4-9-14/h2-10,16H,11-12H2,1H3,(H,21,27)(H,22,23,24,26)InChIKey
ZSTJTHJTGYJJKW-UHFFFAOYSA-NSynonyms
2(benzylsulfanyl)N(2methylphenyl)5oxo4567tetrahydro(124)triazolo(15a)pyrimidine7carboxamide
2benzylsulfanylN(2methylphenyl)5oxo67dihydro1H(124)triazolo(15a)pyrimidine7carboxamide
CC1=CC=CC=C1NC(=O)C2CC(=O)N=C3N2NC(=N3)SCC4=CC=CC=C4
InChI=1SC20H19N5O2Sc1137561015(13)2118(27)161117(26)22192320(2425(16)19)2812148324914h21016H1112H21H3(H2127)(H22232426)
MFCD08088731
ZINC000004737152
ZINC000004737153
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