Vitas-M small molecule compound
ethyl 4-{[({5-[(2,4-dichlorophenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate
Catalog ID
STL381640
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1C)COc1ccc(cc1Cl)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 C21H20Cl2N4O4S MW 495.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20Cl2N4O4S/c1-3-30-20(29)13-4-7-15(8-5-13)24-19(28)12-32-21-26-25-18(27(21)2)11-31-17-9-6-14(22)10-16(17)23/h4-10H,3,11-12H2,1-2H3,(H,24,28)InChIKey
YICCARWFPIKZRG-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)COC3=C(C=C(C=C3)Cl)Cl
ethyl4((((5((24dichlorophenoxy)methyl)4methyl4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
ETHYL4((2((5((24DICHLOROPHENOXY)METHYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
InChI=1SC21H20Cl2N4O4Sc133020(29)134715(8513)2419(28)123221262518(27(21)2)1131179614(22)1016(17)23h410H31112H212H3(H2428)
MFCD06106419
ZINC000002885179
ZINC02885179
ZINC2885179
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