Vitas-M small molecule compound

N-[3-({(1E)-1-[(9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-ylidene]ethyl}amino)-4-methoxyphenyl]furan-2-carboxamide

Catalog ID
STL549626
SMILES COc1ccc(cc1N/C(=C/1\C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/C)NC(=O)c1ccco1

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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 C30H26N2O9 MW 558.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N2O9/c1-13-25(35)23(15(3)33)27-24(26(13)36)30(4)21(41-27)12-18(34)22(28(30)37)14(2)31-17-11-16(8-9-19(17)39-5)32-29(38)20-7-6-10-40-20/h6-12,31,35-36H,1-5H3,(H,32,38)/b22-14+/t30-/m0/s1
InChIKey
JYKSNCPSRXCSMW-CGVHCUEWSA-N
Synonyms

(RE)N(3((1(6acetyl79dihydroxy89bdimethyl13dioxo19bdihydrodibenzo(bd)furan2(3H)ylidene)ethyl)amino)4methoxyphenyl)furan2carboxamide
~(N)(3(((1~(E))1((9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl13dioxodibenzofuran2ylidene)ethyl)amino)4methoxyphenyl)furan2carboxamide
132352085
COc1ccc(cc1NC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C)NC(=O)c1ccco1
InChI=1SC30H26N2O9c11325(35)23(15(3)33)2724(26(13)36)30(4)21(4127)1218(34)22(28(30)37)14(2)31171116(8919(17)395)3229(38)2076104020h612313536H15H3(H3238)b2214+t30m0s1
N(3(((1E)1((9bR)6acetyl79dihydroxy89bdimethyl13dioxo39bdihydrodibenzo(bd)furan2(1H)ylidene)ethyl)amino)4methoxyphenyl)furan2carboxamide
ZINC000824726350

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Available files

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