Vitas-M small molecule compound
4-({(1E)-1-[(9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-ylidene]ethyl}amino)-3-phenylbutanoic acid
Catalog ID
STL548960
SMILES OC(=O)CC(c1ccccc1)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 C28H27NO8 MW 505.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27NO8/c1-13-24(34)22(15(3)30)26-23(25(13)35)28(4)19(37-26)11-18(31)21(27(28)36)14(2)29-12-17(10-20(32)33)16-8-6-5-7-9-16/h5-9,11,17,29,34-35H,10,12H2,1-4H3,(H,32,33)/b21-14+/t17?,28-/m0/s1InChIKey
DUNWEZYMGKOWQJ-ASAKYLSYSA-NSynonyms
110206119
4(((1~(E))1((9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl13dioxodibenzofuran2ylidene)ethyl)amino)3phenylbutanoicacid
4(((1E)1((9bR)6acetyl79dihydroxy89bdimethyl13dioxo39bdihydrodibenzo(bd)furan2(1H)ylidene)ethyl)amino)3phenylbutanoicacid
4(((E)1((R)6acetyl79dihydroxy89bdimethyl13dioxo19bdihydrodibenzo(bd)furan2(3H)ylidene)ethyl)amino)3phenylbutanoicacid
InChI=1SC28H27NO8c11324(34)22(15(3)30)2623(25(13)35)28(4)19(3726)1118(31)21(27(28)36)14(2)291217(1020(32)33)168657916h591117293435H1012H214H3(H3233)b2114+t17?28m0s1
OC(=O)CC(c1ccccc1)CNC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
ZINC000253400297
ZINC000253400300
Check stock
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