Vitas-M small molecule compound
2-(4-chlorophenyl)-2-oxoethyl 4-(4-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate
Catalog ID
STL335849
SMILES Clc1ccc(cc1)C(=O)COC(=O)c1ccc2c(c1)C1C=CCC1C(N2)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 C27H21ClN2O5 MW 488.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21ClN2O5/c28-19-9-4-16(5-10-19)25(31)15-35-27(32)18-8-13-24-23(14-18)21-2-1-3-22(21)26(29-24)17-6-11-20(12-7-17)30(33)34/h1-2,4-14,21-22,26,29H,3,15H2InChIKey
XPEPMBPPFRKPAJ-UHFFFAOYSA-NSynonyms
329912-21-2(2(4CHLOROPHENYL)2OXOETHYL)4(4NITROPHENYL)3A459BTETRAHYDRO3HCYCLOPENTA(C)QUINOLINE8CARBOXYLATE
2(4chlorophenyl)2oxoethyl4(4nitrophenyl)3a459btetrahydro3Hcyclopenta(c)quinoline8carboxylate
329912212
C1C=CC2C1C(NC3=C2C=C(C=C3)C(=O)OCC(=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)(N+)(=O)(O)
Clc1ccc(cc1)C(=O)COC(=O)c1ccc2c(c1)C1C=CCC1C(N2)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC27H21ClN2O5c28199416(51019)25(31)153527(32)188132423(1418)2121322(21)26(2924)1761120(12717)30(33)34h1241421222629H315H2
MFCD01113505
ZINC000001178428
ZINC000226940072
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