Vitas-M small molecule compound

methyl N-({[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}acetyl)-D-tryptophanate

Catalog ID
STL525506
SMILES COC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)COc1cc(O)c2c(c1)occ(c2=O)c1ccc2c(c1)OCCO2

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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 C31H26N2O9 MW 570.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26N2O9/c1-38-31(37)23(10-18-14-32-22-5-3-2-4-20(18)22)33-28(35)16-41-19-12-24(34)29-27(13-19)42-15-21(30(29)36)17-6-7-25-26(11-17)40-9-8-39-25/h2-7,11-15,23,32,34H,8-10,16H2,1H3,(H,33,35)/t23-/m1/s1
InChIKey
VUOFIHCZMOIBFY-HSZRJFAPSA-N
Synonyms
219545-99-0
(R)methyl2(2((3(23dihydrobenzo(b)(14)dioxin6yl)5hydroxy4oxo4Hchromen7yl)oxy)acetamido)3(1Hindol3yl)propanoate
219545990
5572612
COC(=O)(C@@H)(Cc1c(nH)c2c1cccc2)NC(=O)COc1cc(O)c2c(c1)occ(c2=O)c1ccc2c(c1)OCCO2
InChI=1SC31H26N2O9c13831(37)23(1018143222532420(18)22)3328(35)1641191224(34)2927(1319)421521(30(29)36)17672526(1117)40983925h271115233234H81016H21H3(H3335)t23m1s1
methyl(2~(R))2((2(3(23dihydro14benzodioxin6yl)5hydroxy4oxochromen7yl)oxyacetyl)amino)3(1~(H)indol3yl)propanoate
METHYL(2R)2((2(3(23DIHYDRO14BENZODIOXIN6YL)5HYDROXY4OXOCHROMEN7YL)OXYACETYL)AMINO)3(1HINDOL3YL)PROPANOATE
methylN(((3(23dihydro14benzodioxin6yl)5hydroxy4oxo4Hchromen7yl)oxy)acetyl)Dtryptophanate
MFCD01082555
ZINC000002099651
ZINC2099651

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Available files

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