Vitas-M small molecule compound

5-hydroxy-N-[3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanoyl]tryptophan

Catalog ID
STL529992
SMILES O=C(NC(C(=O)O)Cc1c[nH]c2c1cc(O)cc2)CCc1c(=O)oc2c(c1C)ccc(c2C)O

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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/c1-12-16-4-7-21(29)13(2)23(16)34-25(33)17(12)5-8-22(30)27-20(24(31)32)9-14-11-26-19-6-3-15(28)10-18(14)19/h3-4,6-7,10-11,20,26,28-29H,5,8-9H2,1-2H3,(H,27,30)(H,31,32)
InChIKey
OKYKXBCOGZRQEQ-UHFFFAOYSA-N
Synonyms
1214084-68-0
1214084680
2(3(7hydroxy48dimethyl2oxochromen3yl)propanoylamino)3(5hydroxy1~(H)indol3yl)propanoicacid
2(3(7HYDROXY48DIMETHYL2OXOCHROMEN3YL)PROPANOYLAMINO)3(5HYDROXY1HINDOL3YL)PROPANOICACID
3(5HYDROXY1HINDOL3YL)2(3(7HYDROXY48DIMETHYL2OXO2HCHROMEN3YL)PROPANAMIDO)PROPANOICACID
5hydroxyN(3(7hydroxy48dimethyl2oxo2Hchromen3yl)propanoyl)tryptophan
6216568
InChI=1SC25H24N2O7c112164721(29)13(2)23(16)3425(33)17(12)5822(30)2720(24(31)32)9141126196315(28)1018(14)19h3467101120262829H589H212H3(H2730)(H3132)
MFCD06492868
O=C(NC(C(=O)O)Cc1c(nH)c2c1cc(O)cc2)CCc1c(=O)oc2c(c1C)ccc(c2C)O
ZINC000002127971
ZINC000002127972

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Available files

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