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-(4-methoxyphenyl)-beta-alaninamide
Catalog ID
STL545884
SMILES COc1ccc(cc1)NC(=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 C28H28N2O8 MW 520.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O8/c1-13-24(34)22(15(3)31)26-23(25(13)35)28(4)19(38-26)12-18(32)21(27(28)36)14(2)29-11-10-20(33)30-16-6-8-17(37-5)9-7-16/h6-9,12,29,34-35H,10-11H2,1-5H3,(H,30,33)/b21-14+/t28-/m0/s1InChIKey
JOFXXRXDGBDTEC-BSKIJULFSA-NSynonyms
(RE)3((1(6acetyl79dihydroxy89bdimethyl13dioxo19bdihydrodibenzo(bd)furan2(3H)ylidene)ethyl)amino)N(4methoxyphenyl)propanamide
110205980
3(((1~(E))1((9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl13dioxodibenzofuran2ylidene)ethyl)amino)~(N)(4methoxyphenyl)propanamide
COc1ccc(cc1)NC(=O)CCNC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
InChI=1SC28H28N2O8c11324(34)22(15(3)31)2623(25(13)35)28(4)19(3826)1218(32)21(27(28)36)14(2)29111020(33)30166817(375)9716h6912293435H1011H215H3(H3033)b2114+t28m0s1
N~3~((1E)1((9bR)6acetyl79dihydroxy89bdimethyl13dioxo39bdihydrodibenzo(bd)furan2(1H)ylidene)ethyl)N(4methoxyphenyl)betaalaninamide
N3((1E)1((9BR)6ACETYL79DIHYDROXY89BDIMETHYL13DIOXO39BDIHYDRODIBENZO(BD)FURAN2(1H)YLIDENE)ETHYL)N(4METHOXYPHENYL)BETAALANINAMIDE
ZINC000253407140
ZINC253407140
Check stock
See real-time availability and sample size for STL545884 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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