Vitas-M small molecule compound

methyl N-[(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetyl]-N-phenyl-beta-alaninate

Catalog ID
STK594069
SMILES COC(=O)CCN(C(=O)CN1C(=O)c2c(S1(=O)=O)cccc2)c1ccccc1

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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 C19H18N2O6S MW 402.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O6S/c1-27-18(23)11-12-20(14-7-3-2-4-8-14)17(22)13-21-19(24)15-9-5-6-10-16(15)28(21,25)26/h2-10H,11-13H2,1H3
InChIKey
CHSGGNVXEBJJHR-UHFFFAOYSA-N
Synonyms
904499-44-1
904499441
COC(=O)CCN(C1=CC=CC=C1)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O
InChI=1SC19H18N2O6Sc12718(23)111220(147324814)17(22)132119(24)159561016(15)28(2125)26h210H1113H21H3
methyl3(2(11dioxido3oxobenzo(d)isothiazol2(3H)yl)Nphenylacetamido)propanoate
METHYL3(N(2(113TRIOXO12BENZOTHIAZOL2YL)ACETYL)ANILINO)PROPANOATE
methylN((11dioxido3oxo12benzothiazol2(3H)yl)acetyl)Nphenylbetaalaninate
MFCD07638078
ZINC000005353241
ZINC05353241
ZINC5353241

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Available files

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