Vitas-M small molecule compound

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

Catalog ID
STK372282
SMILES CCCOc1ccc(cc1OC)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 C26H35NO5 MW 441.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H35NO5/c1-8-11-31-20-10-9-17(12-21(20)30-7)23-22(25(29)32-15(2)3)16(4)27-18-13-26(5,6)14-19(28)24(18)23/h9-10,12,15,23,27H,8,11,13-14H2,1-7H3
InChIKey
WVSUBUTVJZRGPG-UHFFFAOYSA-N
Synonyms

CCCOC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OC(C)C)C)OC
InChI=1SC26H35NO5c1811312010917(1221(20)307)2322(25(29)3215(2)3)16(4)27181326(56)1419(28)24(18)23h91012152327H8111314H217H3
MFCD00717821
propan2yl4(3methoxy4propoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
propan2yl4(3methoxy4propoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
ZINC000004060580
ZINC000004060581

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.