Vitas-M small molecule compound
(5Z)-5-{[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene}-1,4-dimethyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK068239
SMILES N#CC1=C(C)/C(=C/c2ccc(o2)c2cc(C)c(cc2[N+](=O)[O-])C)/C(=O)N(C1=O)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 C21H17N3O5 MW 391.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O5/c1-11-7-16(18(24(27)28)8-12(11)2)19-6-5-14(29-19)9-15-13(3)17(10-22)21(26)23(4)20(15)25/h5-9H,1-4H3/b15-9-InChIKey
OULLIHWPMZPIRE-DHDCSXOGSA-NSynonyms
(5Z)5((5(45dimethyl2nitrophenyl)furan2yl)methylidene)14dimethyl26dioxo1256tetrahydropyridine3carbonitrile
(5Z)5((5(45dimethyl2nitrophenyl)furan2yl)methylidene)14dimethyl26dioxopyridine3carbonitrile
CC1=C(C=C(C(=C1)C2=CC=C(O2)C=C3C(=C(C(=O)N(C3=O)C)C#N)C)(N+)(=O)(O))C
InChI=1SC21H17N3O5c111716(18(24(27)28)812(11)2)196514(2919)91513(3)17(1022)21(26)23(4)20(15)25h59H14H3b159
MFCD02577416
N#CC1=C(C)C(=Cc2ccc(o2)c2cc(C)c(cc2(N+)(=O)(O))C)C(=O)N(C1=O)C
STK068239
ZINC000000876419
ZINC00876419
ZINC876419
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