Vitas-M small molecule compound
methyl 5-({[5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
Catalog ID
STL416289
SMILES COc1cc(OC)cc(c1)c1nnc([nH]1)SCc1ccc(o1)C(=O)OC
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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 C17H17N3O5S MW 375.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O5S/c1-22-12-6-10(7-13(8-12)23-2)15-18-17(20-19-15)26-9-11-4-5-14(25-11)16(21)24-3/h4-8H,9H2,1-3H3,(H,18,19,20)InChIKey
CZDHOTFLJZZNFW-UHFFFAOYSA-NSynonyms
COC1=CC(=CC(=C1)C2=NC(=NN2)SCC3=CC=C(O3)C(=O)OC)OC
COc1cc(OC)cc(c1)c1nnc((nH)1)SCc1ccc(o1)C(=O)OC
InChI=1SC17H17N3O5Sc12212610(713(812)232)151817(201915)269114514(2511)16(21)243h48H9H213H3(H181920)
methyl5(((5(35dimethoxyphenyl)4H124triazol3yl)sulfanyl)methyl)furan2carboxylate
METHYL5((5(35DIMETHOXYPHENYL)1H124TRIAZOL3YL)SULFANYLMETHYL)FURAN2CARBOXYLATE
MFCD07359261
ZINC000004811036
ZINC04811036
ZINC4811036
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