Vitas-M small molecule compound

methyl N-1,3-benzothiazol-2(3H)-ylidene-2-(diethoxyphosphoryl)-3,3,3-trifluoroalaninate

Catalog ID
STK599475
SMILES CCOP(=O)(C(C(F)(F)F)(C(=O)OC)/N=c\1/sc2c([nH]1)cccc2)OCC

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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 C15H18F3N2O5PS MW 426.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H18F3N2O5PS/c1-4-24-26(22,25-5-2)14(12(21)23-3,15(16,17)18)20-13-19-10-8-6-7-9-11(10)27-13/h6-9H,4-5H2,1-3H3,(H,19,20)
InChIKey
QEMGVGUIURWMTP-UHFFFAOYSA-N
Synonyms

CCOP(=O)(C(C(=O)OC)(C(F)(F)F)NC1=NC2=CC=CC=C2S1)OCC
CCOP(=O)(C(C(F)(F)F)(C(=O)OC)N=c1sc2c((nH)1)cccc2)OCC
InChI=1SC15H18F3N2O5PSc142426(222552)14(12(21)23315(1617)18)20131910867911(10)2713h69H45H213H3(H1920)
METHYL2(13BENZOTHIAZOL2YLAMINO)2DIETHOXYPHOSPHORYL333TRIFLUOROPROPANOATE
methylN13benzothiazol2(3H)ylidene2(diethoxyphosphoryl)333trifluoroalaninate
METHYLN13BENZOTHIAZOL2YL2(DIETHOXYPHOSPHORYL)333TRIFLUOROALANINATE
METHYLN13BENZOTHIAZOL2YL2(DIETHOXYPHOSPHORYL)333TRIFLUOROLALANINATE
MFCD18158571
ZINC000002411832
ZINC000002411833

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Available files

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