Vitas-M small molecule compound
(4E)-5-(4-butoxy-3-ethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione
Catalog ID
STL040731
SMILES CCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1Cc1ccco1
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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 C30H31NO8 MW 533.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31NO8/c1-3-5-12-37-22-10-8-19(16-24(22)35-4-2)27-26(29(33)30(34)31(27)18-21-7-6-13-36-21)28(32)20-9-11-23-25(17-20)39-15-14-38-23/h6-11,13,16-17,27,32H,3-5,12,14-15,18H2,1-2H3/b28-26+InChIKey
XKXBMVGUPGWXFC-BYCLXTJYSA-NSynonyms
573948-98-8(4E)5(4butoxy3ethoxyphenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(furan2ylmethyl)pyrrolidine23dione
573948988
CCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CC5=CC=CO5)OCC
CCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1Cc1ccco1
InChI=1SC30H31NO8c13512372210819(1624(22)3542)2726(29(33)30(34)31(27)182176133621)28(32)209112325(1720)3915143823h6111316172732H3512141518H212H3b2826+
MFCD05732896
ZINC000102867222
ZINC000102867226
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