Vitas-M small molecule compound

methyl 4-[({[5-(4-methoxybenzyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate

Catalog ID
STK772444
SMILES COc1ccc(cc1)Cc1nnc(n1c1ccccc1)SCC(=O)Nc1ccc(cc1)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 C26H24N4O4S MW 488.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N4O4S/c1-33-22-14-8-18(9-15-22)16-23-28-29-26(30(23)21-6-4-3-5-7-21)35-17-24(31)27-20-12-10-19(11-13-20)25(32)34-2/h3-15H,16-17H2,1-2H3,(H,27,31)
InChIKey
LXAYNENPAODKPS-UHFFFAOYSA-N
Synonyms
634169-51-0
634169510
COC1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)C(=O)OC
InChI=1SC26H24N4O4Sc1332214818(91522)1623282926(30(23)216435721)351724(31)2720121019(111320)25(32)342h315H1617H212H3(H2731)
METHYL4((((5(4METHOXYBENZYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4((2((5((4METHOXYPHENYL)METHYL)4PHENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
methyl4(2((5(4methoxybenzyl)4phenyl4H124triazol3yl)thio)acetamido)benzoate
MFCD03674620
ZINC000001440159
ZINC01440159
ZINC1440159

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.