Vitas-M small molecule compound

ethyl N-({[4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate

Catalog ID
STK581893
SMILES CCOC(=O)CNC(=O)CSc1nnc(n1Cc1ccco1)c1cccc(c1)OC

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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 C20H22N4O5S MW 430.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O5S/c1-3-28-18(26)11-21-17(25)13-30-20-23-22-19(14-6-4-7-15(10-14)27-2)24(20)12-16-8-5-9-29-16/h4-10H,3,11-13H2,1-2H3,(H,21,25)
InChIKey
MYSBEJPLICQZBY-UHFFFAOYSA-N
Synonyms
848995-49-3
848995493
CCOC(=O)CNC(=O)CSC1=NN=C(N1CC2=CC=CO2)C3=CC(=CC=C3)OC
ETHYL2((2((4(FURAN2YLMETHYL)5(3METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)ACETATE
ETHYL2(2((4(FURAN2YLMETHYL)5(3METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDO)ACETATE
ethyl2(2((4(furan2ylmethyl)5(3methoxyphenyl)4H124triazol3yl)thio)acetamido)acetate
ETHYL2(2(4(2FURYLMETHYL)5(3METHOXYPHENYL)124TRIAZOL3YLTHIO)ACETYLAMINO)ACETATE
ethylN(((4(furan2ylmethyl)5(3methoxyphenyl)4H124triazol3yl)sulfanyl)acetyl)glycinate
InChI=1SC20H22N4O5Sc132818(26)112117(25)133020232219(1464715(1014)272)24(20)12168592916h410H31113H212H3(H2125)
MFCD05679416
ZINC000002447518
ZINC02447518
ZINC2447518

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Available files

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