Vitas-M small molecule compound
methyl 4-{(3E)-1-(furan-2-ylmethyl)-3-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate
Catalog ID
STL045245
SMILES COC(=O)c1ccc(cc1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\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 C27H23NO7 MW 473.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23NO7/c1-15-12-19-13-18(9-10-21(19)35-15)24(29)22-23(16-5-7-17(8-6-16)27(32)33-2)28(26(31)25(22)30)14-20-4-3-11-34-20/h3-11,13,15,23,29H,12,14H2,1-2H3/b24-22+InChIKey
CNONGDKJLFDDEA-ZNTNEXAZSA-NSynonyms
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CC4=CC=CO4)C5=CC=C(C=C5)C(=O)OC)O
COC(=O)c1ccc(cc1)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1Cc1ccco1
InChI=1SC27H23NO7c11512191318(91021(19)3515)24(29)2223(165717(8616)27(32)332)28(26(31)25(22)30)142043113420h31113152329H1214H212H3b2422+
methyl4((3E)1(furan2ylmethyl)3(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)45dioxopyrrolidin2yl)benzoate
MFCD04079121
ZINC000102876234
ZINC000102876240
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