Vitas-M small molecule compound

{4-[4-chloro-3-(trifluoromethyl)phenyl]-1,1-dioxido-4H-1,4-benzothiazin-2-yl}(pyrrolidin-1-yl)methanone

Catalog ID
STL097100
SMILES O=C(C1=CN(c2ccc(c(c2)C(F)(F)F)Cl)c2c(S1(=O)=O)cccc2)N1CCCC1

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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 C20H16ClF3N2O3S MW 456.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClF3N2O3S/c21-15-8-7-13(11-14(15)20(22,23)24)26-12-18(19(27)25-9-3-4-10-25)30(28,29)17-6-2-1-5-16(17)26/h1-2,5-8,11-12H,3-4,9-10H2
InChIKey
YGCNSZSAKKJPIU-UHFFFAOYSA-N
Synonyms
1251680-78-0
(4(4chloro3(trifluoromethyl)phenyl)11dioxido4H14benzothiazin2yl)(pyrrolidin1yl)methanone
(4(4CHLORO3(TRIFLUOROMETHYL)PHENYL)11DIOXIDO4HBENZO(B)(14)THIAZIN2YL)(PYRROLIDIN1YL)METHANONE
(4(4chloro3(trifluoromethyl)phenyl)11dioxo1$l^(6)4benzothiazin2yl)pyrrolidin1ylmethanone
1251680780
4(4CHLORO3(TRIFLUOROMETHYL)PHENYL)2(PYRROLIDIN1YLCARBONYL)4H14BENZOTHIAZINE11DIOXIDE
C1CCN(C1)C(=O)C2=CN(C3=CC=CC=C3S2(=O)=O)C4=CC(=C(C=C4)Cl)C(F)(F)F
InChI=1SC20H16ClF3N2O3Sc21158713(1114(15)20(2223)24)261218(19(27)259341025)30(2829)17621516(17)26h12581112H34910H2
MFCD18788921
ZINC000049003802
ZINC49003802

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Available files

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