Vitas-M small molecule compound

methyl N-{(1E)-1-[(9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-ylidene]ethyl}-L-isoleucinate

Catalog ID
STL548734
SMILES CC[C@@H]([C@@H](C(=O)OC)N/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 C25H29NO8 MW 471.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO8/c1-8-10(2)19(24(32)33-7)26-12(4)16-14(28)9-15-25(6,23(16)31)18-21(30)11(3)20(29)17(13(5)27)22(18)34-15/h9-10,19,26,29-30H,8H2,1-7H3/b16-12+/t10-,19-,25-/m0/s1
InChIKey
GOJWCCCYORPUGI-YHZGSPRCSA-N
Synonyms

(2S3S)METHYL2(((E)1((R)6ACETYL79DIHYDROXY89BDIMETHYL13DIOXO19BDIHYDRODIBENZO(BD)FURAN2(3H)YLIDENE)ETHYL)AMINO)3METHYLPENTANOATE
121541611
CC(C@@H)((C@@H)(C(=O)OC)NC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C)C
InChI=1SC25H29NO8c1810(2)19(24(32)337)2612(4)1614(28)91525(623(16)31)1821(30)11(3)20(29)17(13(5)27)22(18)3415h91019262930H8H217H3b1612+t101925m0s1
methyl(2~(S)3~(S))2(((1~(E))1((9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl13dioxodibenzofuran2ylidene)ethyl)amino)3methylpentanoate
methylN((1E)1((9bR)6acetyl79dihydroxy89bdimethyl13dioxo39bdihydrodibenzo(bd)furan2(1H)ylidene)ethyl)Lisoleucinate
ZINC000263585236
ZINC263585236

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Available files

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