Vitas-M small molecule compound
3-{(1E)-2-cyano-3-[(furan-2-ylmethyl)amino]-3-oxoprop-1-en-1-yl}phenyl 2-chlorobenzoate
Catalog ID
STK408962
SMILES N#C/C(=C\c1cccc(c1)OC(=O)c1ccccc1Cl)/C(=O)NCc1ccco1
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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 C22H15ClN2O4 MW 406.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15ClN2O4/c23-20-9-2-1-8-19(20)22(27)29-17-6-3-5-15(12-17)11-16(13-24)21(26)25-14-18-7-4-10-28-18/h1-12H,14H2,(H,25,26)/b16-11+InChIKey
GWYRZEQNDSGSQG-LFIBNONCSA-NSynonyms
(3((E)2cyano3(furan2ylmethylamino)3oxoprop1enyl)phenyl)2chlorobenzoate
3((1E)2CYANO2(N(2FURYLMETHYL)CARBAMOYL)VINYL)PHENYL2CHLOROBENZOATE
3((1E)2cyano3((furan2ylmethyl)amino)3oxoprop1en1yl)phenyl2chlorobenzoate
C1=CC=C(C(=C1)C(=O)OC2=CC=CC(=C2)C=C(C#N)C(=O)NCC3=CC=CO3)Cl
InChI=1SC22H15ClN2O4c2320921819(20)22(27)291763515(1217)1116(1324)21(26)25141874102818h112H14H2(H2526)b1611+
MFCD07091029
N#CC(=Cc1cccc(c1)OC(=O)c1ccccc1Cl)C(=O)NCc1ccco1
ZINC000017087509
ZINC17087509
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