Vitas-M small molecule compound

butan-2-yl 4-(3-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK061659
SMILES CCOc1cc(ccc1O)C1C2=C(CC(CC2=O)c2ccc(cc2)OC)NC(=C1C(=O)OC(CC)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 C30H35NO6 MW 505.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35NO6/c1-6-17(3)37-30(34)27-18(4)31-23-14-21(19-8-11-22(35-5)12-9-19)15-25(33)29(23)28(27)20-10-13-24(32)26(16-20)36-7-2/h8-13,16-17,21,28,31-32H,6-7,14-15H2,1-5H3
InChIKey
WTRIZCBHQDHDGU-UHFFFAOYSA-N
Synonyms

butan2yl4(3ethoxy4hydroxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
butan2yl4(3ethoxy4hydroxyphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCC(C)OC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)O)OCC)C(=O)CC(C2)C4=CC=C(C=C4)OC)C
CCOc1cc(ccc1O)C1C2=C(CC(CC2=O)c2ccc(cc2)OC)NC(=C1C(=O)OC(CC)C)C
InChI=1SC30H35NO6c1617(3)3730(34)2718(4)31231421(1981122(355)12919)1525(33)29(23)28(27)20101324(32)26(1620)3672h813161721283132H671415H215H3
MFCD01446360
STK061659
ZINC000002928162
ZINC000035973779

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Available files

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