Vitas-M small molecule compound
4-[(1Z)-3-amino-2-cyano-3-oxoprop-1-en-1-yl]phenyl 4-tert-butylbenzoate
Catalog ID
STL418102
SMILES N#C/C(=C/c1ccc(cc1)OC(=O)c1ccc(cc1)C(C)(C)C)/C(=O)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 C21H20N2O3 MW 348.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O3/c1-21(2,3)17-8-6-15(7-9-17)20(25)26-18-10-4-14(5-11-18)12-16(13-22)19(23)24/h4-12H,1-3H3,(H2,23,24)/b16-12-InChIKey
PAPGQFVJLRVGIH-VBKFSLOCSA-NSynonyms
(4((Z)3amino2cyano3oxoprop1enyl)phenyl)4tertbutylbenzoate
4((1Z)3amino2cyano3oxoprop1en1yl)phenyl4tertbutylbenzoate
CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)N
InChI=1SC21H20N2O3c121(23)178615(7917)20(25)261810414(51118)1216(1322)19(23)24h412H13H3(H22324)b1612
MFCD22125737
N#CC(=Cc1ccc(cc1)OC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N
ZINC000017086233
ZINC17086233
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