Vitas-M small molecule compound
cyclohexyl 2,7,7-trimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK087679
SMILES COc1c(OC)cc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCCC1
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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 C28H37NO6 MW 483.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H37NO6/c1-16-23(27(31)35-18-10-8-7-9-11-18)24(25-19(29-16)14-28(2,3)15-20(25)30)17-12-21(32-4)26(34-6)22(13-17)33-5/h12-13,18,24,29H,7-11,14-15H2,1-6H3InChIKey
GSNRIYLLXHAPJC-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OC4CCCCC4
COc1c(OC)cc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCCC1
cyclohexyl277trimethyl5oxo4(345trimethoxyphenyl)145678hexahydroquinoline3carboxylate
cyclohexyl277trimethyl5oxo4(345trimethoxyphenyl)1468tetrahydroquinoline3carboxylate
InChI=1SC28H37NO6c11623(27(31)3518108791118)24(2519(2916)1428(23)1520(25)30)171221(324)26(346)22(1317)335h1213182429H7111415H216H3
MFCD00753003
STK087679
ZINC000000626713
ZINC000000626718
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