Vitas-M small molecule compound
methyl 4-{[({4-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate
Catalog ID
STL048628
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)OC)COc1ccc(cc1)C
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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 C27H26N4O5S MW 518.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O5S/c1-18-4-12-23(13-5-18)36-16-24-29-30-27(31(24)21-10-14-22(34-2)15-11-21)37-17-25(32)28-20-8-6-19(7-9-20)26(33)35-3/h4-15H,16-17H2,1-3H3,(H,28,32)InChIKey
WVNGJVWJXVARHU-UHFFFAOYSA-NSynonyms
848928-06-3848928063
CC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)NC4=CC=C(C=C4)C(=O)OC
InChI=1SC27H26N4O5Sc11841223(13518)361624293027(31(24)21101422(342)151121)371725(32)28208619(7920)26(33)353h415H1617H213H3(H2832)
methyl4((((4(4methoxyphenyl)5((4methylphenoxy)methyl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL4((2((4(4METHOXYPHENYL)5((4METHYLPHENOXY)METHYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
methyl4(2((4(4methoxyphenyl)5((ptolyloxy)methyl)4H124triazol3yl)thio)acetamido)benzoate
METHYL4(2((4(4METHOXYPHENYL)5(4METHYLPHENOXYMETHYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDO)BENZOATE
METHYL4(2(4(4METHOXYPHENYL)5((4METHYLPHENOXY)METHYL)124TRIAZOL3YLTHIO)ACETYLAMINO)BENZOATE
MFCD05677921
ZINC000002443902
ZINC02443902
ZINC2443902
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.