Vitas-M small molecule compound
2-phenylethyl 4-(6-chloro-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK071482
SMILES O=C(C1=C(C)NC2=C(C1c1cc3OCOc3cc1Cl)C(=O)CCC2)OCCc1ccccc1
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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 C26H24ClNO5 MW 465.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24ClNO5/c1-15-23(26(30)31-11-10-16-6-3-2-4-7-16)24(25-19(28-15)8-5-9-20(25)29)17-12-21-22(13-18(17)27)33-14-32-21/h2-4,6-7,12-13,24,28H,5,8-11,14H2,1H3InChIKey
FMFSFBLPWRDCBV-UHFFFAOYSA-NSynonyms
2phenylethyl4(6chloro13benzodioxol5yl)2methyl5oxo145678hexahydroquinoline3carboxylate
2phenylethyl4(6chloro13benzodioxol5yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3Cl)OCO4)C(=O)OCCC5=CC=CC=C5
InChI=1SC26H24ClNO5c11523(26(30)311110166324716)24(2519(2815)85920(25)29)17122122(1318(17)27)33143221h246712132428H581114H21H3
MFCD02104444
O=C(C1=C(C)NC2=C(C1c1cc3OCOc3cc1Cl)C(=O)CCC2)OCCc1ccccc1
STK071482
ZINC000000883235
ZINC000000883242
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