Vitas-M small molecule compound

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

Catalog ID
STK071910
SMILES COC(=O)c1ccc(cc1)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 C28H29NO5 MW 459.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29NO5/c1-17-23(27(32)34-16-18-8-6-5-7-9-18)24(19-10-12-20(13-11-19)26(31)33-4)25-21(29-17)14-28(2,3)15-22(25)30/h5-13,24,29H,14-16H2,1-4H3
InChIKey
SOFQBYPDYXQNJD-UHFFFAOYSA-N
Synonyms
299946-28-4
299946284
benzyl4(4(methoxycarbonyl)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(4methoxycarbonylphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)C(=O)OC)C(=O)OCC4=CC=CC=C4
COC(=O)c1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCc1ccccc1
InChI=1SC28H29NO5c11723(27(32)3416188657918)24(19101220(131119)26(31)334)2521(2917)1428(23)1522(25)30h5132429H1416H214H3
MFCD00717927
STK071910
ZINC000000677334
ZINC000000677338

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Available files

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