Vitas-M small molecule compound

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

Catalog ID
STK032500
SMILES CCc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC(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 C24H31NO3 MW 381.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31NO3/c1-7-16-8-10-17(11-9-16)21-20(23(27)28-14(2)3)15(4)25-18-12-24(5,6)13-19(26)22(18)21/h8-11,14,21,25H,7,12-13H2,1-6H3
InChIKey
DLUOUQLTHJETKH-UHFFFAOYSA-N
Synonyms
299948-68-8
299948688
CCC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OC(C)C)C
CCc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC(C)C
InChI=1SC24H31NO3c171681017(11916)2120(23(27)2814(2)3)15(4)25181224(56)1319(26)22(18)21h811142125H71213H216H3
MFCD00717983
propan2yl4(4ethylphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
propan2yl4(4ethylphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
STK032500
ZINC000004066567
ZINC000004066569

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Available files

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