Vitas-M small molecule compound

(2Z)-2-cyano-3-[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]-N-(3-ethoxyphenyl)prop-2-enamide

Catalog ID
STK358659
SMILES CCOc1cccc(c1)NC(=O)/C(=C\c1cc(n(c1C)c1ccc(cc1)[N+](=O)[O-])C)/C#N

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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 C24H22N4O4 MW 430.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O4/c1-4-32-23-7-5-6-20(14-23)26-24(29)19(15-25)13-18-12-16(2)27(17(18)3)21-8-10-22(11-9-21)28(30)31/h5-14H,4H2,1-3H3,(H,26,29)/b19-13-
InChIKey
MPJUGKPXKBTFDV-UYRXBGFRSA-N
Synonyms

(2Z)2cyano3(25dimethyl1(4nitrophenyl)1Hpyrrol3yl)N(3ethoxyphenyl)prop2enamide
(Z)2cyano3(25dimethyl1(4nitrophenyl)pyrrol3yl)N(3ethoxyphenyl)prop2enamide
CCOC1=CC=CC(=C1)NC(=O)C(=CC2=C(N(C(=C2)C)C3=CC=C(C=C3)(N+)(=O)(O))C)C#N
CCOc1cccc(c1)NC(=O)C(=Cc1cc(n(c1C)c1ccc(cc1)(N+)(=O)(O))C)C#N
InChI=1SC24H22N4O4c14322375620(1423)2624(29)19(1525)13181216(2)27(17(18)3)2181022(11921)28(30)31h514H4H213H3(H2629)b1913
MFCD11852165
ZINC000020110800
ZINC20110800

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Available files

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