Vitas-M small molecule compound

N-({[4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl]oxy}acetyl)-S-methyl-L-cysteine

Catalog ID
STL464223
SMILES CSC[C@@H](C(=O)O)NC(=O)COc1ccc2c(c1)oc(=O)cc2c1ccc(cc1)OC

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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 C22H21NO7S MW 443.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO7S/c1-28-14-5-3-13(4-6-14)17-10-21(25)30-19-9-15(7-8-16(17)19)29-11-20(24)23-18(12-31-2)22(26)27/h3-10,18H,11-12H2,1-2H3,(H,23,24)(H,26,27)/t18-/m0/s1
InChIKey
IWYHHRDSNSGTDZ-SFHVURJKSA-N
Synonyms
956043-85-9
(2R)2((2(4(4METHOXYPHENYL)2OXOCHROMEN7YL)OXYACETYL)AMINO)3METHYLSULFANYLPROPANOICACID
(R)2(2((4(4methoxyphenyl)2oxo2Hchromen7yl)oxy)acetamido)3(methylthio)propanoicacid
956043859
COC1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3)OCC(=O)NC(CSC)C(=O)O
CSC(C@@H)(C(=O)O)NC(=O)COc1ccc2c(c1)oc(=O)cc2c1ccc(cc1)OC
InChI=1SC22H21NO7Sc128145313(4614)171021(25)3019915(7816(17)19)291120(24)2318(12312)22(26)27h31018H1112H212H3(H2324)(H2627)t18m0s1
N(((4(4methoxyphenyl)2oxo2Hchromen7yl)oxy)acetyl)SmethylLcysteine
ZINC000002116812
ZINC2116812

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Available files

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