Vitas-M small molecule compound
{[4-(4-methoxyphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Catalog ID
STK807116
SMILES COc1ccc(cc1)n1c(SCC(=O)O)nnc1c1cccs1
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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 C15H13N3O3S2 MW 347.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13N3O3S2/c1-21-11-6-4-10(5-7-11)18-14(12-3-2-8-22-12)16-17-15(18)23-9-13(19)20/h2-8H,9H2,1H3,(H,19,20)InChIKey
OOKJBOMIRRNBRO-UHFFFAOYSA-NSynonyms
((4(4methoxyphenyl)5(thiophen2yl)4H124triazol3yl)sulfanyl)aceticacid
2((4(4METHOXYPHENYL)5THIOPHEN2YL124TRIAZOL3YL)SULFANYL)ACETICACID
COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)O)C3=CC=CS3
InChI=1SC15H13N3O3S2c121116410(5711)1814(123282212)161715(18)23913(19)20h28H9H21H3(H1920)
MFCD03621261
ZINC000000107064
ZINC107064
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