Vitas-M small molecule compound

methyl (4Z)-2-methyl-4-(2-nitrobenzylidene)-5-oxo-1-(pyridin-3-ylmethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate

Catalog ID
STK168462
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccccc1[N+](=O)[O-])Cc1cccnc1

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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 C20H17N3O5 MW 379.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O5/c1-13-18(20(25)28-2)16(10-15-7-3-4-8-17(15)23(26)27)19(24)22(13)12-14-6-5-9-21-11-14/h3-11H,12H2,1-2H3/b16-10-
InChIKey
IETVFQGXJJQGAT-YBEGLDIGSA-N
Synonyms

CC1=C(C(=CC2=CC=CC=C2(N+)(=O)(O))C(=O)N1CC3=CN=CC=C3)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccccc1(N+)(=O)(O))Cc1cccnc1
InChI=1SC20H17N3O5c11318(20(25)282)16(1015734817(15)23(26)27)19(24)22(13)1214659211114h311H12H212H3b1610
METHYL(4Z)2METHYL4((2NITROPHENYL)METHYLIDENE)5OXO1(PYRIDIN3YLMETHYL)PYRROLE3CARBOXYLATE
METHYL(4Z)2METHYL4(2NITROBENZYLIDENE)5OXO1(PYRIDIN3YLMETHYL)45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD03719762
ZINC000001123379
ZINC01123379
ZINC1123379

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Available files

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