Vitas-M small molecule compound

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

Catalog ID
STL546129
SMILES CC(NC(=O)CN/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 C23H26N2O7 MW 442.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O7/c1-9(2)25-15(28)8-24-11(4)16-13(27)7-14-23(6,22(16)31)18-20(30)10(3)19(29)17(12(5)26)21(18)32-14/h7,9,24,29-30H,8H2,1-6H3,(H,25,28)/b16-11+/t23-/m0/s1
InChIKey
QNHNAUJPPVXKMR-LJJIPZOBSA-N
Synonyms

(RE)2((1(6acetyl79dihydroxy89bdimethyl13dioxo19bdihydrodibenzo(bd)furan2(3H)ylidene)ethyl)amino)Nisopropylacetamide
110207510
2(((1~(E))1((9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl13dioxodibenzofuran2ylidene)ethyl)amino)~(N)propan2ylacetamide
CC(NC(=O)CNC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C)C
InChI=1SC23H26N2O7c19(2)2515(28)82411(4)1613(27)71423(622(16)31)1820(30)10(3)19(29)17(12(5)26)21(18)3214h79242930H8H216H3(H2528)b1611+t23m0s1
N~2~((1E)1((9bR)6acetyl79dihydroxy89bdimethyl13dioxo39bdihydrodibenzo(bd)furan2(1H)ylidene)ethyl)Npropan2ylglycinamide
N2((1E)1((9BR)6ACETYL79DIHYDROXY89BDIMETHYL13DIOXO39BDIHYDRODIBENZO(BD)FURAN2(1H)YLIDENE)ETHYL)NPROPAN2YLGLYCINAMIDE
ZINC000253412294
ZINC253412294

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Available files

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