Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK066841
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc(Br)c(c(c1)OCC)O)C(=O)CCC2
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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 C23H28BrNO5S MW 510.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28BrNO5S/c1-4-29-18-12-14(11-15(24)22(18)27)20-19(23(28)30-9-10-31-5-2)13(3)25-16-7-6-8-17(26)21(16)20/h11-12,20,25,27H,4-10H2,1-3H3InChIKey
XNTIUCIZYPSQBE-UHFFFAOYSA-NSynonyms
5722-69-02(ethylsulfanyl)ethyl4(3bromo5ethoxy4hydroxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(3bromo5ethoxy4hydroxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
5722690
CCOC1=C(C(=CC(=C1)C2C3=C(CCCC3=O)NC(=C2C(=O)OCCSCC)C)Br)O
CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc(Br)c(c(c1)OCC)O)C(=O)CCC2
InChI=1SC23H28BrNO5Sc1429181214(1115(24)22(18)27)2019(23(28)309103152)13(3)251676817(26)21(16)20h1112202527H410H213H3
MFCD01446351
STK066841
ZINC000004067976
ZINC000004067977
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