Vitas-M small molecule compound
methyl 3-({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Catalog ID
STK130552
SMILES COc1ccc(cc1)c1nnc(n1c1ccccc1)SCc1cccc(c1)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 C24H21N3O3S MW 431.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O3S/c1-29-21-13-11-18(12-14-21)22-25-26-24(27(22)20-9-4-3-5-10-20)31-16-17-7-6-8-19(15-17)23(28)30-2/h3-15H,16H2,1-2H3InChIKey
SHKIUFUZNMXLAC-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC(=C4)C(=O)OC
InChI=1SC24H21N3O3Sc12921131118(121421)22252624(27(22)2094351020)31161776819(1517)23(28)302h315H16H212H3
METHYL3(((5(4METHOXYPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)METHYL)BENZOATE
METHYL3((5(4METHOXYPHENYL)4PHENYL124TRIAZOL3YL)SULFANYLMETHYL)BENZOATE
METHYL3((5(4METHOXYPHENYL)4PHENYL124TRIAZOL3YLTHIO)METHYL)BENZOATE
MFCD02934391
ZINC000001148438
ZINC01148438
ZINC1148438
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