Vitas-M small molecule compound
(2E,9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-2-(1-{[4-(1,3-thiazol-2-yl)benzyl]amino}ethylidene)dibenzo[b,d]furan-1,3(2H,9bH)-dione
Catalog ID
STL548472
SMILES C/C(=C\1/C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/NCc1ccc(cc1)c1nccs1
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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 C28H24N2O6S MW 516.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N2O6S/c1-13-23(33)21(15(3)31)25-22(24(13)34)28(4)19(36-25)11-18(32)20(26(28)35)14(2)30-12-16-5-7-17(8-6-16)27-29-9-10-37-27/h5-11,30,33-34H,12H2,1-4H3/b20-14+/t28-/m0/s1InChIKey
CXVYQXIMBUELLR-FKCOHSBYSA-NSynonyms
(2~(E)9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl2(1((4(13thiazol2yl)phenyl)methylamino)ethylidene)dibenzofuran13dione
(2E9bR)6acetyl79dihydroxy89bdimethyl2(1((4(13thiazol2yl)benzyl)amino)ethylidene)dibenzo(bd)furan13(2H9bH)dione
(RE)6acetyl79dihydroxy89bdimethyl2(1((4(thiazol2yl)benzyl)amino)ethylidene)dibenzo(bd)furan13(2H9bH)dione
110206405
CC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)NCc1ccc(cc1)c1nccs1
InChI=1SC28H24N2O6Sc11323(33)21(15(3)31)2522(24(13)34)28(4)19(3625)1118(32)20(26(28)35)14(2)3012165717(8616)27299103727h511303334H12H214H3b2014+t28m0s1
ZINC000253399454
ZINC253399454
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