Vitas-M small molecule compound
(2E)-4-[(4-methyl-2-nitrophenyl)amino]-4-oxobut-2-enoic acid
Catalog ID
STL019986
SMILES O=C(Nc1ccc(cc1[N+](=O)[O-])C)/C=C/C(=O)O
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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 C11H10N2O5 MW 250.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H10N2O5/c1-7-2-3-8(9(6-7)13(17)18)12-10(14)4-5-11(15)16/h2-6H,1H3,(H,12,14)(H,15,16)/b5-4+InChIKey
KPULDRWQUXVEGP-SNAWJCMRSA-NSynonyms
(2E)4((4methyl2nitrophenyl)amino)4oxobut2enoicacid
(E)4(4METHYL2NITROANILINO)4OXOBUT2ENOICACID
4((4METHYL2NITROPHENYL)AMINO)4OXO2BUTENOICACID
CC1=CC(=C(C=C1)NC(=O)C=CC(=O)O)(N+)(=O)(O)
InChI=1SC11H10N2O5c17238(9(67)13(17)18)1210(14)4511(15)16h26H1H3(H1214)(H1516)b54+
MFCD00024539
O=C(Nc1ccc(cc1(N+)(=O)(O))C)C=CC(=O)O
ZINC000003995636
ZINC3995636
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