Vitas-M small molecule compound

pentyl 4-{[(2E)-2-cyano-3-(4-{[(4-methylphenyl)carbonyl]oxy}phenyl)prop-2-enoyl]amino}benzoate

Catalog ID
STK949825
SMILES CCCCCOC(=O)c1ccc(cc1)NC(=O)/C(=C/c1ccc(cc1)OC(=O)c1ccc(cc1)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 C30H28N2O5 MW 496.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N2O5/c1-3-4-5-18-36-29(34)23-12-14-26(15-13-23)32-28(33)25(20-31)19-22-8-16-27(17-9-22)37-30(35)24-10-6-21(2)7-11-24/h6-17,19H,3-5,18H2,1-2H3,(H,32,33)/b25-19+
InChIKey
GGWPOBUTARZMTD-NCELDCMTSA-N
Synonyms

(4((E)2CYANO3OXO3(4PENTOXYCARBONYLANILINO)PROP1ENYL)PHENYL)4METHYLBENZOATE
4((1E)2CYANO2(N(4(PENTYLOXYCARBONYL)PHENYL)CARBAMOYL)VINYL)PHENYL4METHYLBENZOATE
CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C)C#N
CCCCCOC(=O)c1ccc(cc1)NC(=O)C(=Cc1ccc(cc1)OC(=O)c1ccc(cc1)C)C#N
InChI=1SC30H28N2O5c1345183629(34)23121426(151323)3228(33)25(2031)192281627(17922)3730(35)2410621(2)71124h61719H3518H212H3(H3233)b2519+
MFCD02364665
pentyl4(((2E)2cyano3(4(((4methylphenyl)carbonyl)oxy)phenyl)prop2enoyl)amino)benzoate
ZINC000006162284
ZINC06162284
ZINC6162284

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Available files

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