Vitas-M small molecule compound
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(4-ethoxyphenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
Catalog ID
STL358946
SMILES CCOc1ccc(cc1)C1Nn2c(SC1C(=O)Nc1ccc(c(c1)C(F)(F)F)Cl)nnc2C
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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 C21H19ClF3N5O2S MW 497.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClF3N5O2S/c1-3-32-14-7-4-12(5-8-14)17-18(33-20-28-27-11(2)30(20)29-17)19(31)26-13-6-9-16(22)15(10-13)21(23,24)25/h4-10,17-18,29H,3H2,1-2H3,(H,26,31)InChIKey
CSYHOGBCZPJKNQ-UHFFFAOYSA-NSynonyms
CCOC1=CC=C(C=C1)C2C(SC3=NN=C(N3N2)C)C(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F
InChI=1SC21H19ClF3N5O2Sc1332147412(5814)1718(3320282711(2)30(20)2917)19(31)26136916(22)15(1013)21(2324)25h410171829H3H212H3(H2631)
MFCD07433438
N(4chloro3(trifluoromethyl)phenyl)6(4ethoxyphenyl)3methyl67dihydro5H(124)triazolo(34b)(134)thiadiazine7carboxamide
ZINC000009238929
ZINC000009238932
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