Vitas-M small molecule compound
{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Catalog ID
STL193969
SMILES C=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 C15H13N3O3S MW 315.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13N3O3S/c1-2-7-18-14(16-17-15(18)22-9-13(19)20)12-8-10-5-3-4-6-11(10)21-12/h2-6,8H,1,7,9H2,(H,19,20)InChIKey
SZSBKWSOXCRUDS-UHFFFAOYSA-NSynonyms
((5(1benzofuran2yl)4(prop2en1yl)4H124triazol3yl)sulfanyl)aceticacid
2((5(1benzofuran2yl)4prop2enyl124triazol3yl)sulfanyl)aceticacid
C=CCN1C(=NN=C1SCC(=O)O)C2=CC3=CC=CC=C3O2
InChI=1SC15H13N3O3Sc1271814(161715(18)22913(19)20)12810534611(10)2112h268H179H2(H1920)
MFCD06072141
ZINC000009031038
ZINC9031038
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