Vitas-M small molecule compound
methyl 3-({[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Catalog ID
STK062725
SMILES COC(=O)c1cccc(c1)CSc1nnc(n1c1ccccc1)c1ccco1
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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 C21H17N3O3S MW 391.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O3S/c1-26-20(25)16-8-5-7-15(13-16)14-28-21-23-22-19(18-11-6-12-27-18)24(21)17-9-3-2-4-10-17/h2-13H,14H2,1H3InChIKey
WPBWTLIGRHVFAF-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC(=CC=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4
COC(=O)c1cccc(c1)CSc1nnc(n1c1ccccc1)c1ccco1
InChI=1SC21H17N3O3Sc12620(25)1685715(1316)142821232219(18116122718)24(21)1793241017h213H14H21H3
METHYL3(((5(2FURYL)4PHENYL4H124TRIAZOL3YL)THIO)METHYL)BENZOATE
METHYL3(((5(FURAN2YL)4PHENYL4H124TRIAZOL3YL)SULFANYL)METHYL)BENZOATE
METHYL3((5(FURAN2YL)4PHENYL124TRIAZOL3YL)SULFANYLMETHYL)BENZOATE
MFCD01141238
STK062725
ZINC000000647224
ZINC00647224
ZINC647224
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