Vitas-M small molecule compound

N-[(6,7-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]-D-tryptophan

Catalog ID
STL463558
SMILES COc1cc2c(cc1OC)oc(=O)c(c2C)CC(=O)N[C@@H](C(=O)O)Cc1c[nH]c2c1cccc2

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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 C25H24N2O7 MW 464.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N2O7/c1-13-16-9-21(32-2)22(33-3)11-20(16)34-25(31)17(13)10-23(28)27-19(24(29)30)8-14-12-26-18-7-5-4-6-15(14)18/h4-7,9,11-12,19,26H,8,10H2,1-3H3,(H,27,28)(H,29,30)/t19-/m1/s1
InChIKey
MFRVMJLCZUJXMN-LJQANCHMSA-N
Synonyms

(2R)2((2(67dimethoxy4methyl2oxochromen3yl)acetyl)amino)3(1Hindol3yl)propanoicacid
(S)2(2(67dimethoxy4methyl2oxo2Hchromen3yl)acetamido)3(1Hindol3yl)propanoicacid
CC1=C(C(=O)OC2=CC(=C(C=C12)OC)OC)CC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O
COc1cc2c(cc1OC)oc(=O)c(c2C)CC(=O)N(C@@H)(C(=O)O)Cc1c(nH)c2c1cccc2
COc1cc2c(cc1OC)oc(=O)c(c2C)CC(=O)N(C@H)(C(=O)O)Cc1c(nH)c2c1cccc2
InChI=1SC25H24N2O7c11316921(322)22(333)1120(16)3425(31)17(13)1023(28)2719(24(29)30)814122618754615(14)18h47911121926H810H213H3(H2728)(H2930)t19m1s1
N((67dimethoxy4methyl2oxo2Hchromen3yl)acetyl)Dtryptophan
ZINC000011865470
ZINC11865470

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.