Vitas-M small molecule compound
2-chloro-N-{[5-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STL124037
SMILES C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)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 C22H21Cl2N5O3S MW 506.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21Cl2N5O3S/c1-3-10-29-19(12-25-21(31)15-6-4-5-7-16(15)24)27-28-22(29)33-13-20(30)26-17-11-14(23)8-9-18(17)32-2/h3-9,11H,1,10,12-13H2,2H3,(H,25,31)(H,26,30)InChIKey
YQGIRGNZTSKHSV-UHFFFAOYSA-NSynonyms
2chloroN((5((2((5chloro2methoxyphenyl)amino)2oxoethyl)sulfanyl)4(prop2en1yl)4H124triazol3yl)methyl)benzamide
2CHLORON((5(2(5CHLORO2METHOXYANILINO)2OXOETHYL)SULFANYL4PROP2ENYL124TRIAZOL3YL)METHYL)BENZAMIDE
COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC=CC=C3Cl
InChI=1SC22H21Cl2N5O3Sc13102919(122521(31)15645716(15)24)272822(29)331320(30)26171114(23)8918(17)322h3911H1101213H22H3(H2531)(H2630)
MFCD05990628
ZINC000002856075
ZINC02856075
ZINC2856075
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