Vitas-M small molecule compound
pentyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK078491
SMILES CCCCCOC(=O)C1=C(C)NC2=C(C1c1cc(Cl)c(c(c1)OC)O)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 C25H32ClNO5 MW 461.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32ClNO5/c1-6-7-8-9-32-24(30)20-14(2)27-17-12-25(3,4)13-18(28)22(17)21(20)15-10-16(26)23(29)19(11-15)31-5/h10-11,21,27,29H,6-9,12-13H2,1-5H3InChIKey
VQKXXLNUNPXICX-UHFFFAOYSA-NSynonyms
CCCCCOC(=O)C1=C(C)NC2=C(C1c1cc(Cl)c(c(c1)OC)O)C(=O)CC(C2)(C)C
CCCCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)Cl)O)OC)C(=O)CC(C2)(C)C)C
InChI=1SC25H32ClNO5c167893224(30)2014(2)27171225(34)1318(28)22(17)21(20)151016(26)23(29)19(1115)315h1011212729H691213H215H3
MFCD00753290
pentyl4(3chloro4hydroxy5methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
pentyl4(3chloro4hydroxy5methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
STK078491
ZINC000002055395
ZINC000002055396
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