Vitas-M small molecule compound
3-{[3-(1,3-benzodioxol-5-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]methyl}benzoic acid
Catalog ID
STK640716
SMILES OC(=O)c1cccc(c1)Cn1c(=S)[nH]nc1c1ccc2c(c1)OCO2
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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 C17H13N3O4S MW 355.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N3O4S/c21-16(22)12-3-1-2-10(6-12)8-20-15(18-19-17(20)25)11-4-5-13-14(7-11)24-9-23-13/h1-7H,8-9H2,(H,19,25)(H,21,22)InChIKey
BEHWLOCQOSHYBO-UHFFFAOYSA-NSynonyms
1010904-06-91010904069
3((3(13benzodioxol5yl)5sulfanylidene1H124triazol4yl)methyl)benzoicacid
3((3(13benzodioxol5yl)5thioxo15dihydro4H124triazol4yl)methyl)benzoicacid
C1OC2=C(O1)C=C(C=C2)C3=NNC(=S)N3CC4=CC=CC(=C4)C(=O)O
InChI=1SC17H13N3O4Sc2116(22)1231210(612)82015(181917(20)25)11451314(711)2492313h17H89H2(H1925)(H2122)
MFCD18162433
OC(=O)c1cccc(c1)Cn1c(=S)(nH)nc1c1ccc2c(c1)OCO2
ZINC000012322889
ZINC12322889
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