Vitas-M small molecule compound
6-{(2E)-6-[4-(diphenylmethyl)piperazin-1-yl]-3-methyl-6-oxohex-2-en-1-yl}-5,7-dimethoxy-4-methyl-2-benzofuran-1(3H)-one
Catalog ID
STL522352
SMILES COc1c(C/C=C(/CCC(=O)N2CCN(CC2)C(c2ccccc2)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 C35H40N2O5 MW 568.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H40N2O5/c1-24(15-17-28-33(40-3)25(2)29-23-42-35(39)31(29)34(28)41-4)16-18-30(38)36-19-21-37(22-20-36)32(26-11-7-5-8-12-26)27-13-9-6-10-14-27/h5-15,32H,16-23H2,1-4H3/b24-15+InChIKey
TZOYUHPYUSFEEU-BUVRLJJBSA-NSynonyms
1630908-47-2(E)6(6(4BENZHYDRYLPIPERAZIN1YL)3METHYL6OXOHEX2EN1YL)57DIMETHOXY4METHYLISOBENZOFURAN1(3H)ONE
1630908472
6((~(E))6(4benzhydrylpiperazin1yl)3methyl6oxohex2enyl)57dimethoxy4methyl3~(H)2benzofuran1one
6((2E)6(4(diphenylmethyl)piperazin1yl)3methyl6oxohex2en1yl)57dimethoxy4methyl2benzofuran1(3H)one
91636502
COc1c(CC=C(CCC(=O)N2CCN(CC2)C(c2ccccc2)c2ccccc2)C)c(OC)c2c(c1C)COC2=O
InChI=1SC35H40N2O5c124(15172833(403)25(2)29234235(39)31(29)34(28)414)161830(38)36192137(222036)32(26117581226)271396101427h51532H1623H214H3b2415+
MFCD28348744
ZINC000217600836
ZINC217600836
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