Vitas-M small molecule compound
(2E,9bR)-6-acetyl-2-{1-[(3,4-dihydro-1H-isochromen-1-ylmethyl)amino]ethylidene}-7,9-dihydroxy-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione
Catalog ID
STL546939
SMILES C/C(=C\1/C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/NCC1OCCc2c1cccc2
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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 C28H27NO7 MW 489.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27NO7/c1-13-24(32)22(15(3)30)26-23(25(13)33)28(4)20(36-26)11-18(31)21(27(28)34)14(2)29-12-19-17-8-6-5-7-16(17)9-10-35-19/h5-8,11,19,29,32-33H,9-10,12H2,1-4H3/b21-14+/t19?,28-/m0/s1InChIKey
YEDQZACDTGASLV-MKBBLQMMSA-NSynonyms
(2~(E)9~(b)~(R))6acetyl2(1(34dihydro1~(H)isochromen1ylmethylamino)ethylidene)79dihydroxy89~(b)dimethyldibenzofuran13dione
(2E9bR)6acetyl2(1((34dihydro1Hisochromen1ylmethyl)amino)ethylidene)79dihydroxy89bdimethyldibenzo(bd)furan13(2H9bH)dione
(9bRE)6acetyl79dihydroxy2(1((isochroman1ylmethyl)amino)ethylidene)89bdimethyldibenzo(bd)furan13(2H9bH)dione
110207252
CC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)NCC1OCCc2c1cccc2
InChI=1SC28H27NO7c11324(32)22(15(3)30)2623(25(13)33)28(4)20(3626)1118(31)21(27(28)34)14(2)29121917865716(17)9103519h581119293233H91012H214H3b2114+t19?28m0s1
ZINC000253414669
ZINC000253414670
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