Vitas-M small molecule compound
4-({[5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid
Catalog ID
STK206315
SMILES COc1cc(OC)cc(c1)c1nnc([nH]1)SCc1ccc(cc1)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 C18H17N3O4S MW 371.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O4S/c1-24-14-7-13(8-15(9-14)25-2)16-19-18(21-20-16)26-10-11-3-5-12(6-4-11)17(22)23/h3-9H,10H2,1-2H3,(H,22,23)(H,19,20,21)InChIKey
CIDMIYKKOZHGCD-UHFFFAOYSA-NSynonyms
4(((5(35DIMETHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)METHYL)BENZOICACID
4((5(35DIMETHOXYPHENYL)1H124TRIAZOL3YL)SULFANYLMETHYL)BENZOICACID
COC1=CC(=CC(=C1)C2=NC(=NN2)SCC3=CC=C(C=C3)C(=O)O)OC
COc1cc(OC)cc(c1)c1nnc((nH)1)SCc1ccc(cc1)C(=O)O
InChI=1SC18H17N3O4Sc12414713(815(914)252)161918(212016)2610113512(6411)17(22)23h39H10H212H3(H2223)(H192021)
MFCD05815431
ZINC000006145537
ZINC6145537
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