Vitas-M small molecule compound
4-chloro-N-[(5-{[2-(cyclopentylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
Catalog ID
STK230416
SMILES O=C(c1ccc(cc1)Cl)NCc1nnc(n1C)SCC(=O)NC1CCCC1
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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 C18H22ClN5O2S MW 407.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22ClN5O2S/c1-24-15(10-20-17(26)12-6-8-13(19)9-7-12)22-23-18(24)27-11-16(25)21-14-4-2-3-5-14/h6-9,14H,2-5,10-11H2,1H3,(H,20,26)(H,21,25)InChIKey
CNINUADRGBBRSE-UHFFFAOYSA-NSynonyms
4CHLORON((5((2(CYCLOPENTYLAMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)BENZAMIDE
4CHLORON((5(2(CYCLOPENTYLAMINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)METHYL)BENZAMIDE
4CHLORON(5CYCLOPENTYLCARBAMOYLMETHYLSULFANYL4METHYL4H(124)TRIAZOL3YLMETHYL)BENZAMIDE
CN1C(=NN=C1SCC(=O)NC2CCCC2)CNC(=O)C3=CC=C(C=C3)Cl
InChI=1SC18H22ClN5O2Sc12415(102017(26)126813(19)9712)222318(24)271116(25)2114423514h6914H251011H21H3(H2026)(H2125)
MFCD07790463
ZINC000004735981
ZINC04735981
ZINC4735981
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