Vitas-M small molecule compound

propan-2-yl 4-(4-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK077247
SMILES CC(OC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)Cl)C(=O)CC(C2)(C)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 C22H26ClNO3 MW 387.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26ClNO3/c1-12(2)27-21(26)18-13(3)24-16-10-22(4,5)11-17(25)20(16)19(18)14-6-8-15(23)9-7-14/h6-9,12,19,24H,10-11H2,1-5H3
InChIKey
PKBIRFKIXJLZQG-UHFFFAOYSA-N
Synonyms
299449-71-1
299449711
CC(OC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)Cl)C(=O)CC(C2)(C)C)C
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)Cl)C(=O)OC(C)C
InChI=1SC22H26ClNO3c112(2)2721(26)1813(3)24161022(45)1117(25)20(16)19(18)146815(23)9714h69121924H1011H215H3
MFCD00770888
propan2yl4(4chlorophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
propan2yl4(4chlorophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
STK077247
ZINC000019867057
ZINC000019867059

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Available files

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