Vitas-M small molecule compound
3-({[7-hydroxy-3-(thiophen-2-yl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-5-yl]carbonyl}amino)benzoic acid
Catalog ID
STL252312
SMILES OC1=Nc2nnc(n2C(C1)C(=O)Nc1cccc(c1)C(=O)O)c1cccs1
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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 C17H13N5O4S MW 383.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N5O4S/c23-13-8-11(15(24)18-10-4-1-3-9(7-10)16(25)26)22-14(12-5-2-6-27-12)20-21-17(22)19-13/h1-7,11H,8H2,(H,18,24)(H,25,26)(H,19,21,23)InChIKey
UPJAIQOLMMZTJH-UHFFFAOYSA-NSynonyms
1374512-65-81374512658
3(((7hydroxy3(thiophen2yl)56dihydro(124)triazolo(43a)pyrimidin5yl)carbonyl)amino)benzoicacid
3((7oxo3thiophen2yl56dihydro1H(124)triazolo(43a)pyrimidine5carbonyl)amino)benzoicacid
C1C(N2C(=NNC2=NC1=O)C3=CC=CS3)C(=O)NC4=CC=CC(=C4)C(=O)O
InChI=1SC17H13N5O4Sc2313811(15(24)18104139(710)16(25)26)2214(125262712)202117(22)1913h1711H8H2(H1824)(H2526)(H192123)
MFCD24852925
ZINC000072405609
ZINC000072405610
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