Vitas-M small molecule compound

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

Catalog ID
STK572579
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)C)Cc1cccs1

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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 C25H24N4O3S2 MW 492.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O3S2/c1-3-32-24(31)18-8-10-19(11-9-18)26-23(30)16-34-25-28-27-22(15-21-5-4-14-33-21)29(25)20-12-6-17(2)7-13-20/h4-14H,3,15-16H2,1-2H3,(H,26,30)
InChIKey
DVKKMCCUSFOMQM-UHFFFAOYSA-N
Synonyms
896601-72-2
896601722
CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)C)CC4=CC=CS4
ethyl4((((4(4methylphenyl)5(thiophen2ylmethyl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
ETHYL4((2((4(4METHYLPHENYL)5(THIOPHEN2YLMETHYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ETHYL4(2((4(4METHYLPHENYL)5(THIOPHEN2YLMETHYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDO)BENZOATE
ethyl4(2((5(thiophen2ylmethyl)4(ptolyl)4H124triazol3yl)thio)acetamido)benzoate
ETHYL4(2(4(4METHYLPHENYL)5(2THIENYLMETHYL)124TRIAZOL3YLTHIO)ACETYLAMINO)BENZOATE
InChI=1SC25H24N4O3S2c133224(31)1881019(11918)2623(30)163425282722(152154143321)29(25)2012617(2)71320h414H31516H212H3(H2630)
MFCD06593431
ZINC000002442520
ZINC02442520
ZINC2442520

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Available files

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