Vitas-M small molecule compound
5,7-dimethoxy-4-methyl-6-[(2E)-3-methyl-6-oxo-6-(4-phenylpiperazin-1-yl)hex-2-en-1-yl]-2-benzofuran-1(3H)-one
Catalog ID
STL522266
SMILES COc1c(C/C=C(/CCC(=O)N2CCN(CC2)c2ccccc2)\C)c(OC)c2c(c1C)COC2=O
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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 C28H34N2O5 MW 478.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N2O5/c1-19(11-13-24(31)30-16-14-29(15-17-30)21-8-6-5-7-9-21)10-12-22-26(33-3)20(2)23-18-35-28(32)25(23)27(22)34-4/h5-10H,11-18H2,1-4H3/b19-10+InChIKey
PPMUWGZOPFTMJY-VXLYETTFSA-NSynonyms
1630908-22-3(E)57DIMETHOXY4METHYL6(3METHYL6OXO6(4PHENYLPIPERAZIN1YL)HEX2EN1YL)ISOBENZOFURAN1(3H)ONE
1630908223
57dimethoxy4methyl6((~(E))3methyl6oxo6(4phenylpiperazin1yl)hex2enyl)3~(H)2benzofuran1one
57dimethoxy4methyl6((2E)3methyl6oxo6(4phenylpiperazin1yl)hex2en1yl)2benzofuran1(3H)one
91636831
COc1c(CC=C(CCC(=O)N2CCN(CC2)c2ccccc2)C)c(OC)c2c(c1C)COC2=O
InChI=1SC28H34N2O5c119(111324(31)30161429(151730)218657921)10122226(333)20(2)23183528(32)25(23)27(22)344h510H1118H214H3b1910+
MFCD28348961
ZINC000217651880
ZINC217651880
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