Vitas-M small molecule compound
7-[4-(benzyloxy)phenyl]-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
Catalog ID
STK499434
SMILES CSc1nc2n(n1)C(C=C(N2)C(=O)O)c1ccc(cc1)OCc1ccccc1
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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 C20H18N4O3S MW 394.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O3S/c1-28-20-22-19-21-16(18(25)26)11-17(24(19)23-20)14-7-9-15(10-8-14)27-12-13-5-3-2-4-6-13/h2-11,17H,12H2,1H3,(H,25,26)(H,21,22,23)InChIKey
MOWWOFLFVYVRKT-UHFFFAOYSA-NSynonyms
1040699-55-51040699555
2methylsulfanyl7(4phenylmethoxyphenyl)17dihydro(124)triazolo(15a)pyrimidine5carboxylicacid
7(4(benzyloxy)phenyl)2(methylsulfanyl)47dihydro(124)triazolo(15a)pyrimidine5carboxylicacid
7(4(benzyloxy)phenyl)2(methylthio)47dihydro(124)triazolo(15a)pyrimidine5carboxylicacid
CSC1=NC2=NC(=CC(N2N1)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)O
InChI=1SC20H18N4O3Sc1282022192116(18(25)26)1117(24(19)2320)147915(10814)2712135324613h21117H12H21H3(H2526)(H212223)
MFCD11855744
ZINC000101446948
ZINC000101446951
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