Vitas-M small molecule compound

benzyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK051016
SMILES COc1cc(ccc1OCc1ccccc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCc1ccccc1

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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 C34H35NO5 MW 537.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H35NO5/c1-22-30(33(37)40-21-24-13-9-6-10-14-24)31(32-26(35-22)18-34(2,3)19-27(32)36)25-15-16-28(29(17-25)38-4)39-20-23-11-7-5-8-12-23/h5-17,31,35H,18-21H2,1-4H3
InChIKey
IVBXFHDOINPFHG-UHFFFAOYSA-N
Synonyms

benzyl4(3methoxy4phenylmethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
benzyl4(4(benzyloxy)3methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C(=O)OCC5=CC=CC=C5
COc1cc(ccc1OCc1ccccc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCc1ccccc1
InChI=1SC34H35NO5c12230(33(37)4021241396101424)31(3226(3522)1834(23)1927(32)36)25151628(29(1725)384)392023117581223h5173135H1821H214H3
MFCD00717827
STK051016
ZINC000100523206
ZINC000100523211

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Available files

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