Vitas-M small molecule compound
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}-beta-alanyl-beta-alanine
Catalog ID
STL545975
SMILES O=C(NCCC(=O)O)CCN/C(=C/1\C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)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 C24H26N2O9 MW 486.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N2O9/c1-10-20(32)18(12(3)27)22-19(21(10)33)24(4)14(35-22)9-13(28)17(23(24)34)11(2)25-7-5-15(29)26-8-6-16(30)31/h9,25,32-33H,5-8H2,1-4H3,(H,26,29)(H,30,31)/b17-11+/t24-/m0/s1InChIKey
QDQKPMVKDKYAQJ-OBZJUVQRSA-NSynonyms
(RE)3(3((1(6acetyl79dihydroxy89bdimethyl13dioxo19bdihydrodibenzo(bd)furan2(3H)ylidene)ethyl)amino)propanamido)propanoicacid
110206451
3(3(((1~(E))1((9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl13dioxodibenzofuran2ylidene)ethyl)amino)propanoylamino)propanoicacid
InChI=1SC24H26N2O9c11020(32)18(12(3)27)2219(21(10)33)24(4)14(3522)913(28)17(23(24)34)11(2)257515(29)268616(30)31h9253233H58H214H3(H2629)(H3031)b1711+t24m0s1
N((1E)1((9bR)6acetyl79dihydroxy89bdimethyl13dioxo39bdihydrodibenzo(bd)furan2(1H)ylidene)ethyl)betaalanylbetaalanine
O=C(NCCC(=O)O)CCNC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
ZINC000253412187
ZINC253412187
Check stock
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Check stock on Vitas-MAvailable files
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