Vitas-M small molecule compound
ethyl 3-[({[5-(1-{[(4-methoxyphenyl)acetyl]amino}ethyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK230252
SMILES CCOC(=O)c1cccc(c1)NC(=O)CSc1nnc(n1C)C(NC(=O)Cc1ccc(cc1)OC)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 C25H29N5O5S MW 511.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N5O5S/c1-5-35-24(33)18-7-6-8-19(14-18)27-22(32)15-36-25-29-28-23(30(25)3)16(2)26-21(31)13-17-9-11-20(34-4)12-10-17/h6-12,14,16H,5,13,15H2,1-4H3,(H,26,31)(H,27,32)InChIKey
HDLKVERCAMNQTE-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C)C(C)NC(=O)CC3=CC=C(C=C3)OC
ETHYL3((((5(1(((4METHOXYPHENYL)ACETYL)AMINO)ETHYL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ETHYL3((2((5(1((2(4METHOXYPHENYL)ACETYL)AMINO)ETHYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
InChI=1SC25H29N5O5Sc153524(33)1876819(1418)2722(32)153625292823(30(25)3)16(2)2621(31)131791120(344)121017h6121416H51315H214H3(H2631)(H2732)
MFCD07358014
ZINC000009262558
ZINC000009262561
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