Vitas-M small molecule compound
3,4-dichloro-N-{[5-({2-[(4-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK139534
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)Cl)nnc1CNC(=O)c1ccc(c(c1)Cl)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 C21H18Cl3N5O2S MW 510.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18Cl3N5O2S/c1-2-9-29-18(11-25-20(31)13-3-8-16(23)17(24)10-13)27-28-21(29)32-12-19(30)26-15-6-4-14(22)5-7-15/h2-8,10H,1,9,11-12H2,(H,25,31)(H,26,30)InChIKey
RRJALXFLICJREM-UHFFFAOYSA-NSynonyms
34DICHLORON((5((2((4CHLOROPHENYL)AMINO)2OXOETHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
34DICHLORON((5(2(4CHLOROANILINO)2OXOETHYL)SULFANYL4PROP2ENYL124TRIAZOL3YL)METHYL)BENZAMIDE
C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Cl)CNC(=O)C3=CC(=C(C=C3)Cl)Cl
InChI=1SC21H18Cl3N5O2Sc1292918(112520(31)133816(23)17(24)1013)272821(29)321219(30)26156414(22)5715h2810H191112H2(H2531)(H2630)
MFCD04336076
ZINC000001112363
ZINC01112363
ZINC1112363
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