Vitas-M small molecule compound
(2E,9bR)-6-acetyl-7,9-dihydroxy-2-{1-[(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]ethylidene}-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione
Catalog ID
STL548730
SMILES COc1ccc2c(c1)c1CCCC(c1[nH]2)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 C31H30N2O7 MW 542.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N2O7/c1-13-27(36)24(15(3)34)29-25(28(13)37)31(4)22(40-29)12-21(35)23(30(31)38)14(2)32-20-8-6-7-17-18-11-16(39-5)9-10-19(18)33-26(17)20/h9-12,20,32-33,36-37H,6-8H2,1-5H3/b23-14+/t20?,31-/m0/s1InChIKey
LEPBYVIDNQKBKJ-ZHHKWIGVSA-NSynonyms
(2~(E)9~(b)~(R))6acetyl79dihydroxy2(1((6methoxy2349tetrahydro1~(H)carbazol1yl)amino)ethylidene)89~(b)dimethyldibenzofuran13dione
(2E9bR)6acetyl79dihydroxy2(1((6methoxy2349tetrahydro1Hcarbazol1yl)amino)ethylidene)89bdimethyldibenzo(bd)furan13(2H9bH)dione
(9bRE)6acetyl79dihydroxy2(1((6methoxy2349tetrahydro1Hcarbazol1yl)amino)ethylidene)89bdimethyldibenzo(bd)furan13(2H9bH)dione
121541400
COc1ccc2c(c1)c1CCCC(c1(nH)2)NC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
InChI=1SC31H30N2O7c11327(36)24(15(3)34)2925(28(13)37)31(4)22(4029)1221(35)23(30(31)38)14(2)322086717181116(395)91019(18)3326(17)20h9122032333637H68H215H3b2314+t20?31m0s1
ZINC000263585660
ZINC000263585661
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.