Vitas-M small molecule compound

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

Catalog ID
STK095684
SMILES CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C(=O)OC)nnc1c1cccnc1

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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 C25H23N5O4S MW 489.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N5O4S/c1-3-34-21-12-10-20(11-13-21)30-23(18-5-4-14-26-15-18)28-29-25(30)35-16-22(31)27-19-8-6-17(7-9-19)24(32)33-2/h4-15H,3,16H2,1-2H3,(H,27,31)
InChIKey
KDUFIKHEIQVZLF-UHFFFAOYSA-N
Synonyms
499125-68-7
499125687
CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)OC)C4=CN=CC=C4
CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C(=O)OC)nnc1c1cccnc1
InChI=1SC25H23N5O4Sc133421121020(111321)3023(185414261518)282925(30)351622(31)27198617(7919)24(32)332h415H316H212H3(H2731)
METHYL4((((4(4ETHOXYPHENYL)5(PYRIDIN3YL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4((2((4(4ETHOXYPHENYL)5PYRIDIN3YL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4(2((4(4ETHOXYPHENYL)5(PYRIDIN3YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDO)BENZOATE
methyl4(2((4(4ethoxyphenyl)5(pyridin3yl)4H124triazol3yl)thio)acetamido)benzoate
METHYL4(2(4(4ETHOXYPHENYL)5(3PYRIDYL)124TRIAZOL3YLTHIO)ACETYLAMINO)BENZOATE
MFCD03225133
STK095684
ZINC000001251247
ZINC01251247
ZINC1251247

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Available files

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