Vitas-M small molecule compound

cycloheptyl 2,7,7-trimethyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK067400
SMILES COc1ccc(c(c1OC)OC)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCCCC1

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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 C29H39NO6 MW 497.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H39NO6/c1-17-23(28(32)36-18-11-9-7-8-10-12-18)24(25-20(30-17)15-29(2,3)16-21(25)31)19-13-14-22(33-4)27(35-6)26(19)34-5/h13-14,18,24,30H,7-12,15-16H2,1-6H3
InChIKey
CUYMSKZDAIEZDM-UHFFFAOYSA-N
Synonyms
6050-69-7
6050697
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=C(C(=C(C=C3)OC)OC)OC)C(=O)OC4CCCCCC4
COc1ccc(c(c1OC)OC)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCCCC1
cycloheptyl277trimethyl5oxo4(234trimethoxyphenyl)145678hexahydroquinoline3carboxylate
cycloheptyl277trimethyl5oxo4(234trimethoxyphenyl)1468tetrahydroquinoline3carboxylate
DGLUCOPYRANOSE2(ACETYLAMINO)2DEOXY4OBDGLUCOPYRANOSYL
InChI=1SC29H39NO6c11723(28(32)361811978101218)24(2520(3017)1529(23)1621(25)31)19131422(334)27(356)26(19)345h1314182430H7121516H216H3
MFCD01824508
STK067400
ZINC000001082703
ZINC000001082704

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Available files

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