Vitas-M small molecule compound
2,4-dichloro-N-{1-[5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Catalog ID
STL137013
SMILES C=CCn1c(SCC(=O)NC2CCCCC2)nnc1C(NC(=O)c1ccc(cc1Cl)Cl)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 C22H27Cl2N5O2S MW 496.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27Cl2N5O2S/c1-3-11-29-20(14(2)25-21(31)17-10-9-15(23)12-18(17)24)27-28-22(29)32-13-19(30)26-16-7-5-4-6-8-16/h3,9-10,12,14,16H,1,4-8,11,13H2,2H3,(H,25,31)(H,26,30)InChIKey
FENOHEQDLIQHFW-UHFFFAOYSA-NSynonyms
24dichloroN(1(5((2(cyclohexylamino)2oxoethyl)sulfanyl)4(prop2en1yl)4H124triazol3yl)ethyl)benzamide
24DICHLORON(1(5(2(CYCLOHEXYLAMINO)2OXOETHYL)SULFANYL4PROP2ENYL124TRIAZOL3YL)ETHYL)BENZAMIDE
CC(C1=NN=C(N1CC=C)SCC(=O)NC2CCCCC2)NC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI=1SC22H27Cl2N5O2Sc13112920(14(2)2521(31)1710915(23)1218(17)24)272822(29)321319(30)26167546816h3910121416H1481113H22H3(H2531)(H2630)
MFCD04399555
ZINC000012384010
ZINC000012384011
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