Vitas-M small molecule compound

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

Catalog ID
STK114901
SMILES COc1ccc(cc1)Cc1nnc(n1CC)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 C22H24N4O4S MW 440.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O4S/c1-4-26-19(13-15-5-11-18(29-2)12-6-15)24-25-22(26)31-14-20(27)23-17-9-7-16(8-10-17)21(28)30-3/h5-12H,4,13-14H2,1-3H3,(H,23,27)
InChIKey
RYKWDGJZSOQSOF-UHFFFAOYSA-N
Synonyms

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC)CC3=CC=C(C=C3)OC
InChI=1SC22H24N4O4Sc142619(131551118(292)12615)242522(26)311420(27)23179716(81017)21(28)303h512H41314H213H3(H2327)
METHYL4((((4ETHYL5(4METHOXYBENZYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4((2((4ETHYL5((4METHOXYPHENYL)METHYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD03995845
ZINC000002836305
ZINC02836305
ZINC2836305

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Available files

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