Vitas-M small molecule compound
5-({[5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylic acid
Catalog ID
STL416290
SMILES COc1cc(OC)cc(c1)c1nnc([nH]1)SCc1ccc(o1)C(=O)O
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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 C16H15N3O5S MW 361.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N3O5S/c1-22-11-5-9(6-12(7-11)23-2)14-17-16(19-18-14)25-8-10-3-4-13(24-10)15(20)21/h3-7H,8H2,1-2H3,(H,20,21)(H,17,18,19)InChIKey
HVHSJXGJWVIXKH-UHFFFAOYSA-NSynonyms
5(((5(35dimethoxyphenyl)4H124triazol3yl)sulfanyl)methyl)furan2carboxylicacid
5((5(35dimethoxyphenyl)1H124triazol3yl)sulfanylmethyl)furan2carboxylicacid
COC1=CC(=CC(=C1)C2=NC(=NN2)SCC3=CC=C(O3)C(=O)O)OC
COc1cc(OC)cc(c1)c1nnc((nH)1)SCc1ccc(o1)C(=O)O
InChI=1SC16H15N3O5Sc1221159(612(711)232)141716(191814)258103413(2410)15(20)21h37H8H212H3(H2021)(H171819)
MFCD30707034
ZINC000220962230
ZINC220962230
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