Vitas-M small molecule compound
2-chloro-N-{[4-ethyl-5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK142119
SMILES CCn1c(SCC(=O)Nc2ccc(cc2)F)nnc1CNC(=O)c1ccccc1Cl
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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 C20H19ClFN5O2S MW 447.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClFN5O2S/c1-2-27-17(11-23-19(29)15-5-3-4-6-16(15)21)25-26-20(27)30-12-18(28)24-14-9-7-13(22)8-10-14/h3-10H,2,11-12H2,1H3,(H,23,29)(H,24,28)InChIKey
LMHXEPDFQWBALU-UHFFFAOYSA-NSynonyms
2CHLORON((4ETHYL5((2((4FLUOROPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
2CHLORON((4ETHYL5(2(4FLUOROANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)METHYL)BENZAMIDE
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)F)CNC(=O)C3=CC=CC=C3Cl
InChI=1SC20H19ClFN5O2Sc122717(112319(29)15534616(15)21)252620(27)301218(28)24149713(22)81014h310H21112H21H3(H2329)(H2428)
MFCD04214069
ZINC000001128587
ZINC01128587
ZINC1128587
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