Vitas-M small molecule compound
methyl (4Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-4-(3-nitrobenzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK161474
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cccc(c1)[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)19(14-17-9-6-10-18(13-17)24(27)28)21(25)23(15)12-11-16-7-4-3-5-8-16/h6-7,9-10,13-14H,3-5,8,11-12H2,1-2H3/b19-14-InChIKey
VURCMCZNDPNBFA-RGEXLXHISA-NSynonyms
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=Cc1cccc(c1)(N+)(=O)(O))CCC1=CCCCC1
InChI=1SC22H24N2O5c11520(22(26)292)19(1417961018(1317)24(27)28)21(25)23(15)1211167435816h679101314H3581112H212H3b1914
METHYL(4Z)1(2(CYCLOHEX1EN1YL)ETHYL)2METHYL4(3NITROBENZYLIDENE)5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)1(2(CYCLOHEXEN1YL)ETHYL)2METHYL4((3NITROPHENYL)METHYLIDENE)5OXOPYRROLE3CARBOXYLATE
MFCD03253194
ZINC000001121834
ZINC01121834
ZINC1121834
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