Vitas-M small molecule compound

(2E,9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-2-(1-{[1-(methylsulfonyl)piperidin-4-yl]amino}ethylidene)dibenzo[b,d]furan-1,3(2H,9bH)-dione

Catalog ID
STL549033
SMILES C/C(=C\1/C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/NC1CCN(CC1)S(=O)(=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 C24H28N2O8S MW 504.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N2O8S/c1-11-20(29)18(13(3)27)22-19(21(11)30)24(4)16(34-22)10-15(28)17(23(24)31)12(2)25-14-6-8-26(9-7-14)35(5,32)33/h10,14,25,29-30H,6-9H2,1-5H3/b17-12+/t24-/m0/s1
InChIKey
NVYNFVQTBAUVBU-JYFCICGUSA-N
Synonyms

(2~(E)9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl2(1((1methylsulfonylpiperidin4yl)amino)ethylidene)dibenzofuran13dione
(2E9bR)6acetyl79dihydroxy89bdimethyl2(1((1(methylsulfonyl)piperidin4yl)amino)ethylidene)dibenzo(bd)furan13(2H9bH)dione
(RE)6acetyl79dihydroxy89bdimethyl2(1((1(methylsulfonyl)piperidin4yl)amino)ethylidene)dibenzo(bd)furan13(2H9bH)dione
121541321
CC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)NC1CCN(CC1)S(=O)(=O)C
InChI=1SC24H28N2O8Sc11120(29)18(13(3)27)2219(21(11)30)24(4)16(3422)1015(28)17(23(24)31)12(2)25146826(9714)35(532)33h1014252930H69H215H3b1712+t24m0s1
ZINC000263585917
ZINC263585917

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Available files

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