Vitas-M small molecule compound
cyclopentyl 4-(6-chloro-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK041135
SMILES O=C(C1=C(C)NC2=C(C1c1cc3OCOc3cc1Cl)C(=O)CCC2)OC1CCCC1
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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 C23H24ClNO5 MW 429.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24ClNO5/c1-12-20(23(27)30-13-5-2-3-6-13)21(22-16(25-12)7-4-8-17(22)26)14-9-18-19(10-15(14)24)29-11-28-18/h9-10,13,21,25H,2-8,11H2,1H3InChIKey
AFBUHMKKTFNWOL-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3Cl)OCO4)C(=O)OC5CCCC5
cyclopentyl4(6chloro13benzodioxol5yl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl4(6chloro13benzodioxol5yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC23H24ClNO5c11220(23(27)3013523613)21(2216(2512)74817(22)26)1491819(1015(14)24)29112818h910132125H2811H21H3
MFCD00771156
O=C(C1=C(C)NC2=C(C1c1cc3OCOc3cc1Cl)C(=O)CCC2)OC1CCCC1
STK041135
ZINC000019774730
ZINC000019774732
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