Vitas-M small molecule compound
4-chloro-N-({4-ethyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide
Catalog ID
STK116575
SMILES CCn1c(SCC(=O)Nc2cccc(c2)C(F)(F)F)nnc1CNC(=O)c1ccc(cc1)Cl
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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/c1-2-30-17(11-26-19(32)13-6-8-15(22)9-7-13)28-29-20(30)33-12-18(31)27-16-5-3-4-14(10-16)21(23,24)25/h3-10H,2,11-12H2,1H3,(H,26,32)(H,27,31)InChIKey
CTRFHAYOGVOYAO-UHFFFAOYSA-NSynonyms
4CHLORON((4ETHYL5((2OXO2((3(TRIFLUOROMETHYL)PHENYL)AMINO)ETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
4CHLORON((4ETHYL5((2OXO2(3(TRIFLUOROMETHYL)ANILINO)ETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
4CHLORON((4ETHYL5(2OXO2(3(TRIFLUOROMETHYL)ANILINO)ETHYL)SULFANYL124TRIAZOL3YL)METHYL)BENZAMIDE
CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)CNC(=O)C3=CC=C(C=C3)Cl
InChI=1SC21H19ClF3N5O2Sc123017(112619(32)136815(22)9713)282920(30)331218(31)271653414(1016)21(2324)25h310H21112H21H3(H2632)(H2731)
MFCD04090970
ZINC000000687472
ZINC00687472
ZINC687472
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