Vitas-M small molecule compound

butyl 4-({(2E)-2-cyano-3-[3-methoxy-4-(pentyloxy)phenyl]prop-2-enoyl}amino)benzoate

Catalog ID
STK949940
SMILES CCCCCOc1ccc(cc1OC)/C=C(/C(=O)Nc1ccc(cc1)C(=O)OCCCC)\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 C27H32N2O5 MW 464.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N2O5/c1-4-6-8-16-33-24-14-9-20(18-25(24)32-3)17-22(19-28)26(30)29-23-12-10-21(11-13-23)27(31)34-15-7-5-2/h9-14,17-18H,4-8,15-16H2,1-3H3,(H,29,30)/b22-17+
InChIKey
AIWOIKVWLPAPAY-OQKWZONESA-N
Synonyms

butyl4(((2E)2cyano3(3methoxy4(pentyloxy)phenyl)prop2enoyl)amino)benzoate
BUTYL4(((E)2CYANO3(3METHOXY4PENTOXYPHENYL)PROP2ENOYL)AMINO)BENZOATE
BUTYL4((2E)2CYANO3(3METHOXY4PENTYLOXYPHENYL)PROP2ENOYLAMINO)BENZOATE
CCCCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)OCCCC)OC
CCCCCOc1ccc(cc1OC)C=C(C(=O)Nc1ccc(cc1)C(=O)OCCCC)C#N
InChI=1SC27H32N2O5c146816332414920(1825(24)323)1722(1928)26(30)2923121021(111323)27(31)3415752h9141718H481516H213H3(H2930)b2217+
MFCD02957139
ZINC000012124818
ZINC12124818

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Available files

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