Vitas-M small molecule compound

methyl (4Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-4-(2-nitrobenzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

Catalog ID
STK161473
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccccc1[N+](=O)[O-])CCC1=CCCCC1

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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 C22H24N2O5 MW 396.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O5/c1-15-20(22(26)29-2)18(14-17-10-6-7-11-19(17)24(27)28)21(25)23(15)13-12-16-8-4-3-5-9-16/h6-8,10-11,14H,3-5,9,12-13H2,1-2H3/b18-14-
InChIKey
BMHXFUYEAVGKSU-JXAWBTAJSA-N
Synonyms

CC1=C(C(=CC2=CC=CC=C2(N+)(=O)(O))C(=O)N1CCC3=CCCCC3)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccccc1(N+)(=O)(O))CCC1=CCCCC1
InChI=1SC22H24N2O5c11520(22(26)292)18(141710671119(17)24(27)28)21(25)23(15)1312168435916h68101114H3591213H212H3b1814
METHYL(4Z)1(2(CYCLOHEX1EN1YL)ETHYL)2METHYL4(2NITROBENZYLIDENE)5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)1(2(CYCLOHEXEN1YL)ETHYL)2METHYL4((2NITROPHENYL)METHYLIDENE)5OXOPYRROLE3CARBOXYLATE
METHYL1(2CYCLOHEX1ENYLETHYL)5METHYL3((2NITROPHENYL)METHYLENE)2OXOAZOLINE4CARBOXYLATE
MFCD03253532
ZINC000001147090
ZINC01147090
ZINC1147090

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Available files

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