Vitas-M small molecule compound

Catalog ID
STL058814
SMILES O=c1c(c2ccccc2)c(oc2c1ccc1c2CN(CO1)C1CC[S+](=[O-])(=O)C1)C(F)(F)F

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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 C22H18F3NO5S MW 465.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18F3NO5S/c23-22(24,25)21-18(13-4-2-1-3-5-13)19(27)15-6-7-17-16(20(15)31-21)10-26(12-30-17)14-8-9-32(28,29)11-14/h1-7,14H,8-12H2
InChIKey
FOIKXZRSWKJYFE-UHFFFAOYSA-N
Synonyms
951987-19-2
3(4OXO3PHENYL2(TRIFLUOROMETHYL)8H10HCHROMENO(87E)13OXAZAPERHYDROIN9YL)THIOLANE11DIONE
9(11DIOXIDOTETRAHYDROTHIOPHEN3YL)3PHENYL2(TRIFLUOROMETHYL)910DIHYDRO4H8HCHROMENO(87E)(13)OXAZIN4ONE
9(11DIOXIDOTETRAHYDROTHIOPHEN3YL)3PHENYL2(TRIFLUOROMETHYL)910DIHYDROCHROMENO(87E)(13)OXAZIN4(8H)ONE
9(11dioxothiolan3yl)3phenyl2(trifluoromethyl)810dihydropyrano(23f)(13)benzoxazin4one
951987192
C1CS(=O)(=O)CC1N2CC3=C(C=CC4=C3OC(=C(C4=O)C5=CC=CC=C5)C(F)(F)F)OC2
InChI=1SC22H18F3NO5Sc2322(2425)2118(134213513)19(27)15671716(20(15)3121)1026(123017)148932(2829)1114h1714H812H2
MFCD18193115
O=c1c(c2ccccc2)c(oc2c1ccc1c2CN(CO1)C1CC(S+)(=(O))(=O)C1)C(F)(F)F

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Available files

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