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-(2,4-dimethoxyphenyl)-beta-alaninamide

Catalog ID
STL548186
SMILES COc1ccc(c(c1)OC)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 C29H30N2O9 MW 550.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O9/c1-13-25(35)23(15(3)32)27-24(26(13)36)29(4)20(40-27)12-18(33)22(28(29)37)14(2)30-10-9-21(34)31-17-8-7-16(38-5)11-19(17)39-6/h7-8,11-12,30,35-36H,9-10H2,1-6H3,(H,31,34)/b22-14+/t29-/m0/s1
InChIKey
OLAVTAMEHDFCPT-UDKXPFRISA-N
Synonyms

(RE)3((1(6acetyl79dihydroxy89bdimethyl13dioxo19bdihydrodibenzo(bd)furan2(3H)ylidene)ethyl)amino)N(24dimethoxyphenyl)propanamide
110206107
3(((1~(E))1((9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl13dioxodibenzofuran2ylidene)ethyl)amino)~(N)(24dimethoxyphenyl)propanamide
COc1ccc(c(c1)OC)NC(=O)CCNC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
InChI=1SC29H30N2O9c11325(35)23(15(3)32)2724(26(13)36)29(4)20(4027)1218(33)22(28(29)37)14(2)3010921(34)31178716(385)1119(17)396h781112303536H910H216H3(H3134)b2214+t29m0s1
N~3~((1E)1((9bR)6acetyl79dihydroxy89bdimethyl13dioxo39bdihydrodibenzo(bd)furan2(1H)ylidene)ethyl)N(24dimethoxyphenyl)betaalaninamide
N3((1E)1((9BR)6ACETYL79DIHYDROXY89BDIMETHYL13DIOXO39BDIHYDRODIBENZO(BD)FURAN2(1H)YLIDENE)ETHYL)N(24DIMETHOXYPHENYL)BETAALANINAMIDE
ZINC000253411287
ZINC253411287

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Available files

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