Vitas-M small molecule compound

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

Catalog ID
STK573433
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)Cl

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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 C25H23ClN4O5S MW 527.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23ClN4O5S/c1-2-33-24(32)17-5-9-19(10-6-17)27-23(31)16-36-25-29-28-22(30(25)14-21-4-3-13-34-21)15-35-20-11-7-18(26)8-12-20/h3-13H,2,14-16H2,1H3,(H,27,31)
InChIKey
SXFNTDYFPCZSPG-UHFFFAOYSA-N
Synonyms
899383-97-2
899383972
CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)COC4=CC=C(C=C4)Cl
ethyl4((((5((4chlorophenoxy)methyl)4(furan2ylmethyl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
ETHYL4((2((5((4CHLOROPHENOXY)METHYL)4(FURAN2YLMETHYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ethyl4(2((5((4chlorophenoxy)methyl)4(furan2ylmethyl)4H124triazol3yl)thio)acetamido)benzoate
ETHYL4(2((5(4CHLOROPHENOXYMETHYL)4(FURAN2YLMETHYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDO)BENZOATE
ETHYL4(2(5((4CHLOROPHENOXY)METHYL)4(2FURYLMETHYL)124TRIAZOL3YLTHIO)ACETYLAMINO)BENZOATE
InChI=1SC25H23ClN4O5Sc123324(32)175919(10617)2723(31)163625292822(30(25)142143133421)15352011718(26)81220h313H21416H21H3(H2731)
MFCD06605747
ZINC000097958392
ZINC97958392

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Available files

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