Vitas-M small molecule compound
3-{[3-(thiophen-2-ylmethyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]methyl}benzoic acid
Catalog ID
STK639265
SMILES OC(=O)c1cccc(c1)Cn1c(n[nH]c1=S)Cc1cccs1
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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 C15H13N3O2S2 MW 331.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13N3O2S2/c19-14(20)11-4-1-3-10(7-11)9-18-13(16-17-15(18)21)8-12-5-2-6-22-12/h1-7H,8-9H2,(H,17,21)(H,19,20)InChIKey
KOUFEQIZKNQCJL-UHFFFAOYSA-NSynonyms
952000-83-83((3(thiophen2ylmethyl)5thioxo15dihydro4H124triazol4yl)methyl)benzoicacid
3((3SULFANYL5(THIOPHEN2YLMETHYL)124TRIAZOL4YL)METHYL)BENZOICACID
3((5sulfanylidene3(thiophen2ylmethyl)1H124triazol4yl)methyl)benzoicacid
952000838
C1=CC(=CC(=C1)CN2C(=NNC2=S)CC3=CC=CS3)C(=O)O
InChI=1SC15H13N3O2S2c1914(20)1141310(711)91813(161715(18)21)8125262212h17H89H2(H1721)(H1920)
MFCD18161941
OC(=O)c1cccc(c1)Cn1c(n(nH)c1=S)Cc1cccs1
ZINC000013689098
ZINC13689098
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