Vitas-M small molecule compound

(2E,9bR)-6-acetyl-2-(1-{[3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-6-methylheptyl]amino}ethylidene)-7,9-dihydroxy-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione

Catalog ID
STL548159
SMILES CC(CCC(C1CCOC(C1)(C)C)CCN/C(=C/1\C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/C)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 C33H45NO7 MW 567.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H45NO7/c1-17(2)9-10-21(22-12-14-40-32(6,7)16-22)11-13-34-19(4)25-23(36)15-24-33(8,31(25)39)27-29(38)18(3)28(37)26(20(5)35)30(27)41-24/h15,17,21-22,34,37-38H,9-14,16H2,1-8H3/b25-19+/t21?,22?,33-/m0/s1
InChIKey
HYCNKKGGDFCLBZ-QRTKKXSLSA-N
Synonyms

(2~(E)9~(b)~(R))6acetyl2(1((3(22dimethyloxan4yl)6methylheptyl)amino)ethylidene)79dihydroxy89~(b)dimethyldibenzofuran13dione
(2E9bR)6acetyl2(1((3(22dimethyltetrahydro2Hpyran4yl)6methylheptyl)amino)ethylidene)79dihydroxy89bdimethyldibenzo(bd)furan13(2H9bH)dione
(9BRE)6ACETYL2(1((3(22DIMETHYLTETRAHYDRO2HPYRAN4YL)6METHYLHEPTYL)AMINO)ETHYLIDENE)79DIHYDROXY89BDIMETHYLDIBENZO(BD)FURAN13(2H9BH)DIONE
110206375
CC(CCC(C1CCOC(C1)(C)C)CCNC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C)C
InChI=1SC33H45NO7c117(2)91021(2212144032(67)1622)11133419(4)2523(36)152433(831(25)39)2729(38)18(3)28(37)26(20(5)35)30(27)4124h15172122343738H91416H218H3b2519+t21?22?33m0s1
ZINC000253404715
ZINC000253404728

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Available files

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