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}-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-beta-alaninamide
Catalog ID
STL547213
SMILES O=C(NCCc1onc(n1)C)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 C26H28N4O8 MW 524.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O8/c1-11-22(34)20(13(3)31)24-21(23(11)35)26(5)16(37-24)10-15(32)19(25(26)36)12(2)27-8-6-17(33)28-9-7-18-29-14(4)30-38-18/h10,27,34-35H,6-9H2,1-5H3,(H,28,33)/b19-12+/t26-/m0/s1InChIKey
SBGLENZHMVQDAP-CTSWPSOHSA-NSynonyms
(RE)3((1(6acetyl79dihydroxy89bdimethyl13dioxo19bdihydrodibenzo(bd)furan2(3H)ylidene)ethyl)amino)N(2(3methyl124oxadiazol5yl)ethyl)propanamide
110207285
3(((1~(E))1((9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl13dioxodibenzofuran2ylidene)ethyl)amino)~(N)(2(3methyl124oxadiazol5yl)ethyl)propanamide
InChI=1SC26H28N4O8c11122(34)20(13(3)31)2421(23(11)35)26(5)16(3724)1015(32)19(25(26)36)12(2)278617(33)2897182914(4)303818h10273435H69H215H3(H2833)b1912+t26m0s1
N~3~((1E)1((9bR)6acetyl79dihydroxy89bdimethyl13dioxo39bdihydrodibenzo(bd)furan2(1H)ylidene)ethyl)N(2(3methyl124oxadiazol5yl)ethyl)betaalaninamide
N3((1E)1((9BR)6ACETYL79DIHYDROXY89BDIMETHYL13DIOXO39BDIHYDRODIBENZO(BD)FURAN2(1H)YLIDENE)ETHYL)N(2(3METHYL124OXADIAZOL5YL)ETHYL)BETAALANINAMIDE
O=C(NCCc1onc(n1)C)CCNC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
ZINC000253412799
ZINC253412799
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