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-benzyl-beta-alaninamide

Catalog ID
STL548480
SMILES O=C(NCc1ccccc1)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 C28H28N2O7 MW 504.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O7/c1-14-24(34)22(16(3)31)26-23(25(14)35)28(4)19(37-26)12-18(32)21(27(28)36)15(2)29-11-10-20(33)30-13-17-8-6-5-7-9-17/h5-9,12,29,34-35H,10-11,13H2,1-4H3,(H,30,33)/b21-15+/t28-/m0/s1
InChIKey
DXPSXZPEYAAPBG-HACONHBVSA-N
Synonyms

(RE)3((1(6acetyl79dihydroxy89bdimethyl13dioxo19bdihydrodibenzo(bd)furan2(3H)ylidene)ethyl)amino)Nbenzylpropanamide
110205962
3(((1~(E))1((9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl13dioxodibenzofuran2ylidene)ethyl)amino)~(N)benzylpropanamide
InChI=1SC28H28N2O7c11424(34)22(16(3)31)2623(25(14)35)28(4)19(3726)1218(32)21(27(28)36)15(2)29111020(33)3013178657917h5912293435H101113H214H3(H3033)b2115+t28m0s1
N~3~((1E)1((9bR)6acetyl79dihydroxy89bdimethyl13dioxo39bdihydrodibenzo(bd)furan2(1H)ylidene)ethyl)Nbenzylbetaalaninamide
N3((1E)1((9BR)6ACETYL79DIHYDROXY89BDIMETHYL13DIOXO39BDIHYDRODIBENZO(BD)FURAN2(1H)YLIDENE)ETHYL)NBENZYLBETAALANINAMIDE
O=C(NCc1ccccc1)CCNC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
ZINC000253400458
ZINC253400458

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Available files

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