Vitas-M small molecule compound

2-phenylethyl 2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK044755
SMILES O=C(C1=C(C)NC2=C(C1c1cc3OCOc3cc1[N+](=O)[O-])C(=O)CC(C2)c1ccccc1)OCCc1ccccc1

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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 C32H28N2O7 MW 552.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28N2O7/c1-19-29(32(36)39-13-12-20-8-4-2-5-9-20)30(23-16-27-28(41-18-40-27)17-25(23)34(37)38)31-24(33-19)14-22(15-26(31)35)21-10-6-3-7-11-21/h2-11,16-17,22,30,33H,12-15,18H2,1H3
InChIKey
DYNPIJUEKBZQGX-UHFFFAOYSA-N
Synonyms

2phenylethyl2methyl4(6nitro13benzodioxol5yl)5oxo7phenyl145678hexahydroquinoline3carboxylate
2phenylethyl2methyl4(6nitro13benzodioxol5yl)5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC5=C(C=C4(N+)(=O)(O))OCO5)C(=O)OCCC6=CC=CC=C6
InChI=1SC32H28N2O7c11929(32(36)391312208425920)30(23162728(41184027)1725(23)34(37)38)3124(3319)1422(1526(31)35)21106371121h2111617223033H121518H21H3
MFCD01823652
O=C(C1=C(C)NC2=C(C1c1cc3OCOc3cc1(N+)(=O)(O))C(=O)CC(C2)c1ccccc1)OCCc1ccccc1
STK044755
ZINC000000801118
ZINC000000801121

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Available files

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