Vitas-M small molecule compound
{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Catalog ID
STL193970
SMILES CCn1c(SCC(=O)O)nnc1c1cc2c(o1)cccc2
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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 C14H13N3O3S MW 303.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13N3O3S/c1-2-17-13(15-16-14(17)21-8-12(18)19)11-7-9-5-3-4-6-10(9)20-11/h3-7H,2,8H2,1H3,(H,18,19)InChIKey
NZCBNKDTMAIXAM-UHFFFAOYSA-NSynonyms
((5(1benzofuran2yl)4ethyl4H124triazol3yl)sulfanyl)aceticacid
2((5(1benzofuran2yl)4ethyl124triazol3yl)sulfanyl)aceticacid
CCN1C(=NN=C1SCC(=O)O)C2=CC3=CC=CC=C3O2
InChI=1SC14H13N3O3Sc121713(151614(17)21812(18)19)1179534610(9)2011h37H28H21H3(H1819)
MFCD22391142
ZINC000009031220
ZINC9031220
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