Vitas-M small molecule compound
methyl (4Z)-1-cyclohexyl-2-methyl-4-(3-nitrobenzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK159952
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cccc(c1)[N+](=O)[O-])C1CCCCC1
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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 C20H22N2O5 MW 370.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O5/c1-13-18(20(24)27-2)17(12-14-7-6-10-16(11-14)22(25)26)19(23)21(13)15-8-4-3-5-9-15/h6-7,10-12,15H,3-5,8-9H2,1-2H3/b17-12-InChIKey
ZFJMJDYKLQRUCY-ATVHPVEESA-NSynonyms
(Z)methyl1cyclohexyl2methyl4(3nitrobenzylidene)5oxo45dihydro1Hpyrrole3carboxylate
CC1=C(C(=CC2=CC(=CC=C2)(N+)(=O)(O))C(=O)N1C3CCCCC3)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1cccc(c1)(N+)(=O)(O))C1CCCCC1
InChI=1SC20H22N2O5c11318(20(24)272)17(1214761016(1114)22(25)26)19(23)21(13)158435915h67101215H3589H212H3b1712
METHYL(4Z)1CYCLOHEXYL2METHYL4((3NITROPHENYL)METHYLIDENE)5OXOPYRROLE3CARBOXYLATE
METHYL(4Z)1CYCLOHEXYL2METHYL4(3NITROBENZYLIDENE)5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD01893513
ZINC000002318775
ZINC02318775
ZINC2318775
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