Vitas-M small molecule compound

N-{[(4-butyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy]acetyl}-S-methyl-L-cysteine

Catalog ID
STL534720
SMILES CCCCc1cc(=O)oc2c1c(OCC(=O)N[C@H](C(=O)O)CSC)cc(c2)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 C20H25NO6S MW 407.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25NO6S/c1-4-5-6-13-9-18(23)27-16-8-12(2)7-15(19(13)16)26-10-17(22)21-14(11-28-3)20(24)25/h7-9,14H,4-6,10-11H2,1-3H3,(H,21,22)(H,24,25)/t14-/m0/s1
InChIKey
FVABWHFFOCRHJJ-AWEZNQCLSA-N
Synonyms
956045-61-7
(2~(R))2((2(4butyl7methyl2oxochromen5yl)oxyacetyl)amino)3methylsulfanylpropanoicacid
(2R)2((2(4BUTYL7METHYL2OXOCHROMEN5YL)OXYACETYL)AMINO)3METHYLSULFANYLPROPANOICACID
(R)2(2((4BUTYL7METHYL2OXO2HCHROMEN5YL)OXY)ACETAMIDO)3(METHYLTHIO)PROPANOICACID
1775136
956045617
CCCCc1cc(=O)oc2c1c(OCC(=O)N(C@H)(C(=O)O)CSC)cc(c2)C
InChI=1SC20H25NO6Sc145613918(23)2716812(2)715(19(13)16)261017(22)2114(11283)20(24)25h7914H461011H213H3(H2122)(H2425)t14m0s1
N(((4butyl7methyl2oxo2Hchromen5yl)oxy)acetyl)SmethylLcysteine
ZINC000002120234
ZINC2120234

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Available files

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