Vitas-M small molecule compound
8-(2-chloro-6-fluorophenyl)-3-(4-ethoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK886997
SMILES CCOc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1c(F)cccc1Cl
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C22H19ClFN3O2S MW 443.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClFN3O2S/c1-2-29-15-8-6-14(7-9-15)26-12-27-20(28)10-16(17(11-25)22(27)30-13-26)21-18(23)4-3-5-19(21)24/h3-9,16H,2,10,12-13H2,1H3InChIKey
UQKHCWOFDHQYBG-UHFFFAOYSA-NSynonyms
8(2chloro6fluorophenyl)3(4ethoxyphenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
8(2chloro6fluorophenyl)3(4ethoxyphenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
CCOC1=CC=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=C(C=CC=C4Cl)F
InChI=1SC22H19ClFN3O2Sc1229158614(7915)26122720(28)1016(17(1125)22(27)301326)2118(23)43519(21)24h3916H2101213H21H3
MFCD10087718
ZINC000009693593
ZINC000009693594
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