Vitas-M small molecule compound
methyl 4-chloro-3-{[({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate
Catalog ID
STK218950
SMILES CCOc1cc(C)ccc1OCc1nnc(n1C)SCC(=O)Nc1cc(ccc1Cl)C(=O)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 C23H25ClN4O5S MW 504.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25ClN4O5S/c1-5-32-19-10-14(2)6-9-18(19)33-12-20-26-27-23(28(20)3)34-13-21(29)25-17-11-15(22(30)31-4)7-8-16(17)24/h6-11H,5,12-13H2,1-4H3,(H,25,29)InChIKey
PMJQJIZHILPVSZ-UHFFFAOYSA-NSynonyms
CCOC1=C(C=CC(=C1)C)OCC2=NN=C(N2C)SCC(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl
InChI=1SC23H25ClN4O5Sc1532191014(2)6918(19)331220262723(28(20)3)341321(29)25171115(22(30)314)7816(17)24h611H51213H214H3(H2529)
METHYL4CHLORO3((((5((2ETHOXY4METHYLPHENOXY)METHYL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4CHLORO3((2((5((2ETHOXY4METHYLPHENOXY)METHYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD06000444
ZINC000001075094
ZINC01075094
ZINC1075094
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