Vitas-M small molecule compound
N-{[5-({2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}-2-fluorobenzamide
Catalog ID
STK120337
SMILES C=CCn1c(SCC(=O)Nc2ccc(c(c2)Cl)Cl)nnc1CNC(=O)c1ccccc1F
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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 C21H18Cl2FN5O2S MW 494.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18Cl2FN5O2S/c1-2-9-29-18(11-25-20(31)14-5-3-4-6-17(14)24)27-28-21(29)32-12-19(30)26-13-7-8-15(22)16(23)10-13/h2-8,10H,1,9,11-12H2,(H,25,31)(H,26,30)InChIKey
CVPAJZYMRUDBTQ-UHFFFAOYSA-NSynonyms
C=CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)Cl)CNC(=O)C3=CC=CC=C3F
InChI=1SC21H18Cl2FN5O2Sc1292918(112520(31)14534617(14)24)272821(29)321219(30)26137815(22)16(23)1013h2810H191112H2(H2531)(H2630)
MFCD04339568
N((4ALLYL5((2(34DICHLOROANILINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)2FLUOROBENZAMIDE
N((5((2((34DICHLOROPHENYL)AMINO)2OXOETHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)METHYL)2FLUOROBENZAMIDE
N((5(2(34DICHLOROANILINO)2OXOETHYL)SULFANYL4PROP2ENYL124TRIAZOL3YL)METHYL)2FLUOROBENZAMIDE
ZINC000000633845
ZINC00633845
ZINC633845
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