Vitas-M small molecule compound
methyl 4-[({[4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STL025987
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1CC)COc1ccccc1
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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 C21H22N4O4S MW 426.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O4S/c1-3-25-18(13-29-17-7-5-4-6-8-17)23-24-21(25)30-14-19(26)22-16-11-9-15(10-12-16)20(27)28-2/h4-12H,3,13-14H2,1-2H3,(H,22,26)InChIKey
OCMOXJULXFUBPD-UHFFFAOYSA-NSynonyms
862184-03-0862184030
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC)COC3=CC=CC=C3
InChI=1SC21H22N4O4Sc132518(1329177546817)232421(25)301419(26)221611915(101216)20(27)282h412H31314H212H3(H2226)
methyl4((((4ethyl5(phenoxymethyl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL4((2((4ETHYL5(PHENOXYMETHYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4(2((4ETHYL5(PHENOXYMETHYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDO)BENZOATE
methyl4(2((4ethyl5(phenoxymethyl)4H124triazol3yl)thio)acetamido)benzoate
METHYL4(2(4ETHYL5(PHENOXYMETHYL)124TRIAZOL3YLTHIO)ACETYLAMINO)BENZOATE
MFCD05687736
ZINC000009499233
ZINC09499233
ZINC9499233
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.