Vitas-M small molecule compound
methyl 4-{3-[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
Catalog ID
STL363897
SMILES N#C/C(=C/c1cc(n(c1C)c1ccc(cc1)C(=O)OC)C)/C(=O)NCc1ccccc1
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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 C25H23N3O3 MW 413.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O3/c1-17-13-21(14-22(15-26)24(29)27-16-19-7-5-4-6-8-19)18(2)28(17)23-11-9-20(10-12-23)25(30)31-3/h4-14H,16H2,1-3H3,(H,27,29)/b22-14-InChIKey
OZARRBZDVDYROA-HMAPJEAMSA-NSynonyms
(Z)methyl4(3(3(benzylamino)2cyano3oxoprop1en1yl)25dimethyl1Hpyrrol1yl)benzoate
CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C=C(C#N)C(=O)NCC3=CC=CC=C3
InChI=1SC25H23N3O3c1171321(1422(1526)24(29)2716197546819)18(2)28(17)2311920(101223)25(30)313h414H16H213H3(H2729)b2214
methyl4(3((1Z)3(benzylamino)2cyano3oxoprop1en1yl)25dimethyl1Hpyrrol1yl)benzoate
METHYL4(3((Z)3(BENZYLAMINO)2CYANO3OXOPROP1ENYL)25DIMETHYLPYRROL1YL)BENZOATE
MFCD01829582
N#CC(=Cc1cc(n(c1C)c1ccc(cc1)C(=O)OC)C)C(=O)NCc1ccccc1
ZINC000013800447
ZINC13800447
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