Vitas-M small molecule compound
ethyl 4-{4-[(2-chloro-4-fluorophenoxy)methyl]-5-methylthiophen-2-yl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL175516
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1sc(c(c1)COc1ccc(cc1Cl)F)C)C(=O)CC(C2)(C)C
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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 C27H29ClFNO4S MW 518.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29ClFNO4S/c1-6-33-26(32)23-14(2)30-19-11-27(4,5)12-20(31)24(19)25(23)22-9-16(15(3)35-22)13-34-21-8-7-17(29)10-18(21)28/h7-10,25,30H,6,11-13H2,1-5H3InChIKey
BAEQBQKLVWNLJH-UHFFFAOYSA-NSynonyms
438216-53-6438216536
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(S3)C)COC4=C(C=C(C=C4)F)Cl)C(=O)CC(C2)(C)C)C
ethyl4(4((2chloro4fluorophenoxy)methyl)5methylthiophen2yl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(4((2chloro4fluorophenoxy)methyl)5methylthiophen2yl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC27H29ClFNO4Sc163326(32)2314(2)30191127(45)1220(31)24(19)25(23)22916(15(3)3522)1334218717(29)1018(21)28h7102530H61113H215H3
MFCD03312590
ZINC000002736149
ZINC000002736150
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