Vitas-M small molecule compound
(2Z)-2-cyano-3-[2,5-dimethyl-1-(2-methyl-4-nitrophenyl)-1H-pyrrol-3-yl]-N-(3-ethoxyphenyl)prop-2-enamide
Catalog ID
STK186478
SMILES CCOc1cccc(c1)NC(=O)/C(=C\c1cc(n(c1C)c1ccc(cc1C)[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 C25H24N4O4 MW 444.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O4/c1-5-33-23-8-6-7-21(14-23)27-25(30)20(15-26)13-19-12-17(3)28(18(19)4)24-10-9-22(29(31)32)11-16(24)2/h6-14H,5H2,1-4H3,(H,27,30)/b20-13-InChIKey
SZNYBSZGEQDGOQ-MOSHPQCFSA-NSynonyms
(2Z)2CYANO3(25DIMETHYL1(2METHYL4NITROPHENYL)1HPYRROL3YL)N(3ETHOXYPHENYL)PROP2ENAMIDE
(Z)2CYANO3(25DIMETHYL1(2METHYL4NITROPHENYL)PYRROL3YL)N(3ETHOXYPHENYL)PROP2ENAMIDE
CCOC1=CC=CC(=C1)NC(=O)C(=CC2=C(N(C(=C2)C)C3=C(C=C(C=C3)(N+)(=O)(O))C)C)C#N
CCOc1cccc(c1)NC(=O)C(=Cc1cc(n(c1C)c1ccc(cc1C)(N+)(=O)(O))C)C#N
InChI=1SC25H24N4O4c15332386721(1423)2725(30)20(1526)13191217(3)28(18(19)4)2410922(29(31)32)1116(24)2h614H5H214H3(H2730)b2013
MFCD01909662
ZINC000008842851
ZINC08842851
ZINC8842851
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