Vitas-M small molecule compound
methyl (4Z)-2-methyl-1-(4-methylbenzyl)-4-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK168450
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(o1)c1cccc(c1)[N+](=O)[O-])Cc1ccc(cc1)C
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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 C26H22N2O6 MW 458.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O6/c1-16-7-9-18(10-8-16)15-27-17(2)24(26(30)33-3)22(25(27)29)14-21-11-12-23(34-21)19-5-4-6-20(13-19)28(31)32/h4-14H,15H2,1-3H3/b22-14-InChIKey
WUMFOPQYBJMGRT-HMAPJEAMSA-NSynonyms
CC1=CC=C(C=C1)CN2C(=C(C(=CC3=CC=C(O3)C4=CC(=CC=C4)(N+)(=O)(O))C2=O)C(=O)OC)C
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(o1)c1cccc(c1)(N+)(=O)(O))Cc1ccc(cc1)C
InChI=1SC26H22N2O6c1167918(10816)152717(2)24(26(30)333)22(25(27)29)1421111223(3421)1954620(1319)28(31)32h414H15H213H3b2214
METHYL(4Z)2METHYL1((4METHYLPHENYL)METHYL)4((5(3NITROPHENYL)FURAN2YL)METHYLIDENE)5OXOPYRROLE3CARBOXYLATE
METHYL(4Z)2METHYL1(4METHYLBENZYL)4((5(3NITROPHENYL)FURAN2YL)METHYLIDENE)5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD08680038
ZINC000009846952
ZINC09846952
ZINC9846952
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