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-alanine
Catalog ID
STL548736
SMILES OC(=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 C21H21NO8 MW 415.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO8/c1-8-17(27)15(10(3)23)19-16(18(8)28)21(4)12(30-19)7-11(24)14(20(21)29)9(2)22-6-5-13(25)26/h7,22,27-28H,5-6H2,1-4H3,(H,25,26)/b14-9+/t21-/m0/s1InChIKey
CCXDRVRDUNLDLW-PBAKHKOTSA-NSynonyms
(RE)3((1(6acetyl79dihydroxy89bdimethyl13dioxo19bdihydrodibenzo(bd)furan2(3H)ylidene)ethyl)amino)propanoicacid
3(((1~(E))1((9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl13dioxodibenzofuran2ylidene)ethyl)amino)propanoicacid
71454290
InChI=1SC21H21NO8c1817(27)15(10(3)23)1916(18(8)28)21(4)12(3019)711(24)14(20(21)29)9(2)226513(25)26h7222728H56H214H3(H2526)b149+t21m0s1
N((1E)1((9bR)6acetyl79dihydroxy89bdimethyl13dioxo39bdihydrodibenzo(bd)furan2(1H)ylidene)ethyl)betaalanine
OC(=O)CCNC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
ZINC000103025719
ZINC103025719
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