Vitas-M small molecule compound

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

Catalog ID
STK864786
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccccc1)CCc1ccc(o1)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 C26H26N4O4S MW 490.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O4S/c1-3-33-25(32)19-10-12-20(13-11-19)27-24(31)17-35-26-29-28-23(16-15-22-14-9-18(2)34-22)30(26)21-7-5-4-6-8-21/h4-14H,3,15-17H2,1-2H3,(H,27,31)
InChIKey
UUANUEBEJXBMNX-UHFFFAOYSA-N
Synonyms
638144-57-7
638144577
CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CCC4=CC=C(O4)C
ETHYL4((((5(2(5METHYL2FURYL)ETHYL)4PHENYL4H124TRIAZOL3YL)THIO)ACETYL)AMINO)BENZOATE
ethyl4((((5(2(5methylfuran2yl)ethyl)4phenyl4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
ETHYL4((2((5(2(5METHYLFURAN2YL)ETHYL)4PHENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ethyl4(2((5(2(5methylfuran2yl)ethyl)4phenyl4H124triazol3yl)thio)acetamido)benzoate
ETHYL4(2(5(2(5METHYL(2FURYL))ETHYL)4PHENYL124TRIAZOL3YLTHIO)ACETYLAMINO)BENZOATE
InChI=1SC26H26N4O4Sc133325(32)19101220(131119)2724(31)173526292823(16152214918(2)3422)30(26)217546821h414H31517H212H3(H2731)
MFCD04193391
ZINC000008666260
ZINC08666260
ZINC8666260

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Available files

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