Vitas-M small molecule compound
3-{(1Z)-3-[(1,3-benzodioxol-5-ylmethyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}phenyl 4-chlorobenzoate
Catalog ID
STK473153
SMILES N#C/C(=C/c1cccc(c1)OC(=O)c1ccc(cc1)Cl)/C(=O)NCc1ccc2c(c1)OCO2
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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 C25H17ClN2O5 MW 460.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17ClN2O5/c26-20-7-5-18(6-8-20)25(30)33-21-3-1-2-16(11-21)10-19(13-27)24(29)28-14-17-4-9-22-23(12-17)32-15-31-22/h1-12H,14-15H2,(H,28,29)/b19-10-InChIKey
DIEZFTYYBQPQNS-GRSHGNNSSA-NSynonyms
(3((Z)3(13benzodioxol5ylmethylamino)2cyano3oxoprop1enyl)phenyl)4chlorobenzoate
3((1Z)2(N(2HBENZO(34D)13DIOXOLAN5YLMETHYL)CARBAMOYL)2CYANOVINYL)PHENYL4CHLOROBENZOATE
3((1Z)3((13benzodioxol5ylmethyl)amino)2cyano3oxoprop1en1yl)phenyl4chlorobenzoate
C1OC2=C(O1)C=C(C=C2)CNC(=O)C(=CC3=CC(=CC=C3)OC(=O)C4=CC=C(C=C4)Cl)C#N
InChI=1SC25H17ClN2O5c26207518(6820)25(30)332131216(1121)1019(1327)24(29)281417492223(1217)32153122h112H1415H2(H2829)b1910
MFCD07092759
N#CC(=Cc1cccc(c1)OC(=O)c1ccc(cc1)Cl)C(=O)NCc1ccc2c(c1)OCO2
ZINC000020457126
ZINC20457126
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