Vitas-M small molecule compound
(4E)-5-(3-butoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione
Catalog ID
STL057327
SMILES CCCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1CCCOC
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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 C27H31NO7 MW 481.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31NO7/c1-3-4-13-33-20-8-5-7-18(16-20)24-23(26(30)27(31)28(24)11-6-12-32-2)25(29)19-9-10-21-22(17-19)35-15-14-34-21/h5,7-10,16-17,24,29H,3-4,6,11-15H2,1-2H3/b25-23+InChIKey
XHIKKBFTSZAFRZ-WJTDDFOZSA-NSynonyms
587009-36-7(4E)5(3butoxyphenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(3methoxypropyl)pyrrolidine23dione
587009367
CCCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCCOC
CCCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1CCCOC
InChI=1SC27H31NO7c13413332085718(1620)2423(26(30)27(31)28(24)11612322)25(29)199102122(1719)3515143421h571016172429H3461115H212H3b2523+
MFCD05730230
ZINC000102897080
ZINC000102897082
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