Vitas-M small molecule compound
2-(cyanomethyl)-1,1-dioxido-3-(phenylcarbonyl)-2H-1,2-benzothiazin-4-yl 2-methylpropanoate
Catalog ID
STK725106
SMILES N#CCN1C(=C(OC(=O)C(C)C)c2c(S1(=O)=O)cccc2)C(=O)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 C21H18N2O5S MW 410.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O5S/c1-14(2)21(25)28-20-16-10-6-7-11-17(16)29(26,27)23(13-12-22)18(20)19(24)15-8-4-3-5-9-15/h3-11,14H,13H2,1-2H3InChIKey
OFHVDTVLSAPOTN-UHFFFAOYSA-NSynonyms
904008-56-6(3benzoyl2(cyanomethyl)11dioxo1$l^(6)2benzothiazin4yl)2methylpropanoate
2(cyanomethyl)11dioxido3(phenylcarbonyl)2H12benzothiazin4yl2methylpropanoate
3benzoyl2(cyanomethyl)11dioxido2Hbenzo(e)(12)thiazin4ylisobutyrate
904008566
CC(C)C(=O)OC1=C(N(S(=O)(=O)C2=CC=CC=C21)CC#N)C(=O)C3=CC=CC=C3
InChI=1SC21H18N2O5Sc114(2)21(25)28201610671117(16)29(2627)23(131222)18(20)19(24)158435915h31114H13H212H3
MFCD08292771
ZINC000006764274
ZINC06764274
ZINC6764274
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