Vitas-M small molecule compound

(2E)-3-{1-[3-bromo-4-(morpholin-4-yl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyano-N-(2-methoxyethyl)prop-2-enamide

Catalog ID
STK380696
SMILES COCCNC(=O)/C(=C/c1cc(n(c1C)c1ccc(c(c1)Br)N1CCOCC1)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 C23H27BrN4O3 MW 487.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27BrN4O3/c1-16-12-18(13-19(15-25)23(29)26-6-9-30-3)17(2)28(16)20-4-5-22(21(24)14-20)27-7-10-31-11-8-27/h4-5,12-14H,6-11H2,1-3H3,(H,26,29)/b19-13+
InChIKey
VZFFLOCSMDGHRA-CPNJWEJPSA-N
Synonyms

(2E)3(1(3bromo4(morpholin4yl)phenyl)25dimethyl1Hpyrrol3yl)2cyanoN(2methoxyethyl)prop2enamide
(2E)3(1(3BROMO4MORPHOLIN4YLPHENYL)25DIMETHYLPYRROL3YL)2CYANON(2METHOXYETHYL)PROP2ENAMIDE
(E)3(1(3BROMO4MORPHOLIN4YLPHENYL)25DIMETHYLPYRROL3YL)2CYANON(2METHOXYETHYL)PROP2ENAMIDE
CC1=CC(=C(N1C2=CC(=C(C=C2)N3CCOCC3)Br)C)C=C(C#N)C(=O)NCCOC
COCCNC(=O)C(=Cc1cc(n(c1C)c1ccc(c(c1)Br)N1CCOCC1)C)C#N
InChI=1SC23H27BrN4O3c1161218(1319(1525)23(29)2669303)17(2)28(16)204522(21(24)1420)277103111827h451214H611H213H3(H2629)b1913+
MFCD02314467
ZINC000004087329
ZINC04087329
ZINC4087329

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Available files

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