Vitas-M small molecule compound

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

Catalog ID
STK415356
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1C)Cc1ccccc1

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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 C21H22N4O3S MW 410.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O3S/c1-3-28-20(27)16-9-11-17(12-10-16)22-19(26)14-29-21-24-23-18(25(21)2)13-15-7-5-4-6-8-15/h4-12H,3,13-14H2,1-2H3,(H,22,26)
InChIKey
QHMLUKLFEQSHCW-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CC3=CC=CC=C3
ethyl4((((5benzyl4methyl4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
ETHYL4((2((5BENZYL4METHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ETHYL4(2(4METHYL5BENZYL124TRIAZOL3YLTHIO)ACETYLAMINO)BENZOATE
InChI=1SC21H22N4O3Sc132820(27)1691117(121016)2219(26)142921242318(25(21)2)13157546815h412H31314H212H3(H2226)
MFCD07120738
ZINC000004800473
ZINC04800473
ZINC4800473

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Available files

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