Vitas-M small molecule compound
N-{1-[5-({2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}-2-methylbenzamide
Catalog ID
STK140083
SMILES CCn1c(SCC(=O)Nc2ccc(c(c2)Cl)C)nnc1C(NC(=O)c1ccccc1C)C
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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 C23H26ClN5O2S MW 472.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26ClN5O2S/c1-5-29-21(16(4)25-22(31)18-9-7-6-8-14(18)2)27-28-23(29)32-13-20(30)26-17-11-10-15(3)19(24)12-17/h6-12,16H,5,13H2,1-4H3,(H,25,31)(H,26,30)InChIKey
GRKARGPEFWJSER-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)C)Cl)C(C)NC(=O)C3=CC=CC=C3C
InChI=1SC23H26ClN5O2Sc152921(16(4)2522(31)18976814(18)2)272823(29)321320(30)2617111015(3)19(24)1217h61216H513H214H3(H2531)(H2630)
MFCD05986497
N(1(5((2((3CHLORO4METHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4ETHYL4H124TRIAZOL3YL)ETHYL)2METHYLBENZAMIDE
N(1(5(2(3CHLORO4METHYLANILINO)2OXOETHYL)SULFANYL4ETHYL124TRIAZOL3YL)ETHYL)2METHYLBENZAMIDE
ZINC000001131734
ZINC000001131735
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