Vitas-M small molecule compound
3-[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)phenyl]propanoic acid
Catalog ID
STL550814
SMILES OC(=O)CCc1ccc(cc1)N/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 C27H25NO8 MW 491.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25NO8/c1-12-23(33)21(14(3)29)25-22(24(12)34)27(4)18(36-25)11-17(30)20(26(27)35)13(2)28-16-8-5-15(6-9-16)7-10-19(31)32/h5-6,8-9,11,28,33-34H,7,10H2,1-4H3,(H,31,32)/b20-13+/t27-/m0/s1InChIKey
WAQAHPIHDGGYGX-PGSXWIQSSA-NSynonyms
(RE)3(4((1(6acetyl79dihydroxy89bdimethyl13dioxo19bdihydrodibenzo(bd)furan2(3H)ylidene)ethyl)amino)phenyl)propanoicacid
132351961
3(4(((1~(E))1((9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl13dioxodibenzofuran2ylidene)ethyl)amino)phenyl)propanoicacid
3(4(((1E)1((9bR)6acetyl79dihydroxy89bdimethyl13dioxo39bdihydrodibenzo(bd)furan2(1H)ylidene)ethyl)amino)phenyl)propanoicacid
InChI=1SC27H25NO8c11223(33)21(14(3)29)2522(24(12)34)27(4)18(3625)1117(30)20(26(27)35)13(2)28168515(6916)71019(31)32h568911283334H710H214H3(H3132)b2013+t27m0s1
OC(=O)CCc1ccc(cc1)NC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
ZINC000828514275
Check stock
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