Vitas-M small molecule compound

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

Catalog ID
STK182375
SMILES CCOc1ccc(cc1)NC(=O)/C(=C\c1cc(n(c1C)c1ccc2c(c1)OCO2)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 C25H23N3O4 MW 429.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O4/c1-4-30-22-8-5-20(6-9-22)27-25(29)19(14-26)12-18-11-16(2)28(17(18)3)21-7-10-23-24(13-21)32-15-31-23/h5-13H,4,15H2,1-3H3,(H,27,29)/b19-12-
InChIKey
OPTFPJYNVCUPER-UNOMPAQXSA-N
Synonyms

(2Z)3(1(13BENZODIOXOL5YL)25DIMETHYL1HPYRROL3YL)2CYANON(4ETHOXYPHENYL)PROP2ENAMIDE
(Z)3(1(13BENZODIOXOL5YL)25DIMETHYLPYRROL3YL)2CYANON(4ETHOXYPHENYL)PROP2ENAMIDE
(Z)3(1(benzo(d)(13)dioxol5yl)25dimethyl1Hpyrrol3yl)2cyanoN(4ethoxyphenyl)acrylamide
3(1(2HBENZO(34D)13DIOXOLEN5YL)25DIMETHYLPYRROL3YL)(2Z)2CYANON(4ETHOXYPHENYL)PROP2ENAMIDE
CCOC1=CC=C(C=C1)NC(=O)C(=CC2=C(N(C(=C2)C)C3=CC4=C(C=C3)OCO4)C)C#N
CCOc1ccc(cc1)NC(=O)C(=Cc1cc(n(c1C)c1ccc2c(c1)OCO2)C)C#N
InChI=1SC25H23N3O4c1430228520(6922)2725(29)19(1426)12181116(2)28(17(18)3)217102324(1321)32153123h513H415H213H3(H2729)b1912
MFCD01824202
ZINC000008842875
ZINC08842875
ZINC8842875

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Available files

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