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-phenylethyl)-beta-alaninamide
Catalog ID
STL547072
SMILES O=C(NCCc1ccccc1)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 C29H30N2O7 MW 518.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O7/c1-15-25(35)23(17(3)32)27-24(26(15)36)29(4)20(38-27)14-19(33)22(28(29)37)16(2)30-13-11-21(34)31-12-10-18-8-6-5-7-9-18/h5-9,14,30,35-36H,10-13H2,1-4H3,(H,31,34)/b22-16+/t29-/m0/s1InChIKey
CDDCZHOBZOMPFS-JROZDVGBSA-NSynonyms
(RE)3((1(6acetyl79dihydroxy89bdimethyl13dioxo19bdihydrodibenzo(bd)furan2(3H)ylidene)ethyl)amino)Nphenethylpropanamide
110206524
3(((1~(E))1((9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl13dioxodibenzofuran2ylidene)ethyl)amino)~(N)(2phenylethyl)propanamide
InChI=1SC29H30N2O7c11525(35)23(17(3)32)2724(26(15)36)29(4)20(3827)1419(33)22(28(29)37)16(2)30131121(34)311210188657918h5914303536H1013H214H3(H3134)b2216+t29m0s1
N~3~((1E)1((9bR)6acetyl79dihydroxy89bdimethyl13dioxo39bdihydrodibenzo(bd)furan2(1H)ylidene)ethyl)N(2phenylethyl)betaalaninamide
N3((1E)1((9BR)6ACETYL79DIHYDROXY89BDIMETHYL13DIOXO39BDIHYDRODIBENZO(BD)FURAN2(1H)YLIDENE)ETHYL)N(2PHENYLETHYL)BETAALANINAMIDE
O=C(NCCc1ccccc1)CCNC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
ZINC000253398404
ZINC253398404
Check stock
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