Vitas-M small molecule compound
cyclopentyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK028224
SMILES COc1cc(ccc1OC)C1CC2=C(C(=O)C1)C(C(=C(N2)C)C(=O)OC1CCCC1)c1ccc(cc1)[N+](=O)[O-]
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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 C30H32N2O7 MW 532.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N2O7/c1-17-27(30(34)39-22-6-4-5-7-22)28(18-8-11-21(12-9-18)32(35)36)29-23(31-17)14-20(15-24(29)33)19-10-13-25(37-2)26(16-19)38-3/h8-13,16,20,22,28,31H,4-7,14-15H2,1-3H3InChIKey
NTDQRYUYOJKLGN-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)OC5CCCC5
COc1cc(ccc1OC)C1CC2=C(C(=O)C1)C(C(=C(N2)C)C(=O)OC1CCCC1)c1ccc(cc1)(N+)(=O)(O)
cyclopentyl7(34dimethoxyphenyl)2methyl4(4nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
cyclopentyl7(34dimethoxyphenyl)2methyl4(4nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC30H32N2O7c11727(30(34)3922645722)28(1881121(12918)32(35)36)2923(3117)1420(1524(29)33)19101325(372)26(1619)383h8131620222831H471415H213H3
MFCD02224256
STK028224
ZINC000000863482
ZINC000000863485
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