Vitas-M small molecule compound
4-[(N-{(1E)-1-[(9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-ylidene]ethyl}glycyl)amino]benzamide
Catalog ID
STL549103
SMILES O=C(Nc1ccc(cc1)C(=O)N)CN/C(=C/1\C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/C
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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 C27H25N3O8 MW 519.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O8/c1-11-22(34)20(13(3)31)24-21(23(11)35)27(4)17(38-24)9-16(32)19(25(27)36)12(2)29-10-18(33)30-15-7-5-14(6-8-15)26(28)37/h5-9,29,34-35H,10H2,1-4H3,(H2,28,37)(H,30,33)/b19-12+/t27-/m0/s1InChIKey
QPMQPTBEYWNCML-UTYZVXQHSA-NSynonyms
(RE)4(2((1(6acetyl79dihydroxy89bdimethyl13dioxo19bdihydrodibenzo(bd)furan2(3H)ylidene)ethyl)amino)acetamido)benzamide
110206188
4((2(((1~(E))1((9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl13dioxodibenzofuran2ylidene)ethyl)amino)acetyl)amino)benzamide
4((N((1E)1((9bR)6acetyl79dihydroxy89bdimethyl13dioxo39bdihydrodibenzo(bd)furan2(1H)ylidene)ethyl)glycyl)amino)benzamide
InChI=1SC27H25N3O8c11122(34)20(13(3)31)2421(23(11)35)27(4)17(3824)916(32)19(25(27)36)12(2)291018(33)30157514(6815)26(28)37h59293435H10H214H3(H22837)(H3033)b1912+t27m0s1
O=C(Nc1ccc(cc1)C(=O)N)CNC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
ZINC000253412317
ZINC253412317
Check stock
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Check stock on Vitas-MAvailable files
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