Vitas-M small molecule compound

benzyl 2-methyl-4-(3-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK402897
SMILES O=C(C1=C(C)NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)c1cccs1)OCc1ccccc1

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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 C28H24N2O5S MW 500.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N2O5S/c1-17-25(28(32)35-16-18-7-3-2-4-8-18)26(19-9-5-10-21(13-19)30(33)34)27-22(29-17)14-20(15-23(27)31)24-11-6-12-36-24/h2-13,20,26,29H,14-16H2,1H3
InChIKey
ZFCZCTGBUSFSJC-UHFFFAOYSA-N
Synonyms

benzyl2methyl4(3nitrophenyl)5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
benzyl2methyl4(3nitrophenyl)5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)OCC5=CC=CC=C5
InChI=1SC28H24N2O5Sc11725(28(32)3516187324818)26(19951021(1319)30(33)34)2722(2917)1420(1523(27)31)24116123624h213202629H1416H21H3
MFCD03370936
O=C(C1=C(C)NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)c1cccs1)OCc1ccccc1
ZINC000001431208
ZINC000001431211

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Available files

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