Vitas-M small molecule compound

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

Catalog ID
STK037446
SMILES COc1c(OC)cc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCC1

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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 C27H35NO6 MW 469.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35NO6/c1-15-22(26(30)34-17-9-7-8-10-17)23(24-18(28-15)13-27(2,3)14-19(24)29)16-11-20(31-4)25(33-6)21(12-16)32-5/h11-12,17,23,28H,7-10,13-14H2,1-6H3
InChIKey
DIWICMDQVUBUGX-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OC4CCCC4
COc1c(OC)cc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCC1
cyclopentyl277trimethyl5oxo4(345trimethoxyphenyl)145678hexahydroquinoline3carboxylate
cyclopentyl277trimethyl5oxo4(345trimethoxyphenyl)1468tetrahydroquinoline3carboxylate
InChI=1SC27H35NO6c11522(26(30)34179781017)23(2418(2815)1327(23)1419(24)29)161120(314)25(336)21(1216)325h1112172328H7101314H216H3
MFCD00753379
STK037446
ZINC000000626689
ZINC000000626696

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Available files

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