Vitas-M small molecule compound
(2E,9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-2-(1-{[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]amino}ethylidene)dibenzo[b,d]furan-1,3(2H,9bH)-dione
Catalog ID
STL546797
SMILES C/C(=C\1/C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/NCCc1scc(n1)c1ccccc1
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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 C29H26N2O6S MW 530.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N2O6S/c1-14-25(34)23(16(3)32)27-24(26(14)35)29(4)20(37-27)12-19(33)22(28(29)36)15(2)30-11-10-21-31-18(13-38-21)17-8-6-5-7-9-17/h5-9,12-13,30,34-35H,10-11H2,1-4H3/b22-15+/t29-/m0/s1InChIKey
OBNYBYADSBBTTK-NKVKBKOUSA-NSynonyms
(2~(E)9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl2(1(2(4phenyl13thiazol2yl)ethylamino)ethylidene)dibenzofuran13dione
(2E9bR)6acetyl79dihydroxy89bdimethyl2(1((2(4phenyl13thiazol2yl)ethyl)amino)ethylidene)dibenzo(bd)furan13(2H9bH)dione
(RE)6acetyl79dihydroxy89bdimethyl2(1((2(4phenylthiazol2yl)ethyl)amino)ethylidene)dibenzo(bd)furan13(2H9bH)dione
110207125
CC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)NCCc1scc(n1)c1ccccc1
InChI=1SC29H26N2O6Sc11425(34)23(16(3)32)2724(26(14)35)29(4)20(3727)1219(33)22(28(29)36)15(2)301110213118(133821)178657917h591213303435H1011H214H3b2215+t29m0s1
ZINC000253411013
ZINC253411013
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