Vitas-M small molecule compound
2,4-dichloro-N-{1-[5-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}benzamide
Catalog ID
STK120494
SMILES COc1cccc(c1)NC(=O)CSc1nnc([nH]1)C(C(C)C)NC(=O)c1ccc(cc1Cl)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 C22H23Cl2N5O3S MW 508.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23Cl2N5O3S/c1-12(2)19(26-21(31)16-8-7-13(23)9-17(16)24)20-27-22(29-28-20)33-11-18(30)25-14-5-4-6-15(10-14)32-3/h4-10,12,19H,11H2,1-3H3,(H,25,30)(H,26,31)(H,27,28,29)InChIKey
NTCNSXQNCAUZRW-UHFFFAOYSA-NSynonyms
24DICHLORON(1(3(2(3METHOXYANILINO)2OXOETHYL)SULFANYL1H124TRIAZOL5YL)2METHYLPROPYL)BENZAMIDE
24DICHLORON(1(5((2((3METHOXYPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)2METHYLPROPYL)BENZAMIDE
CC(C)C(C1=NC(=NN1)SCC(=O)NC2=CC(=CC=C2)OC)NC(=O)C3=C(C=C(C=C3)Cl)Cl
COc1cccc(c1)NC(=O)CSc1nnc((nH)1)C(C(C)C)NC(=O)c1ccc(cc1Cl)Cl
InChI=1SC22H23Cl2N5O3Sc112(2)19(2621(31)168713(23)917(16)24)202722(292820)331118(30)251454615(1014)323h4101219H11H213H3(H2530)(H2631)(H272829)
MFCD08671348
ZINC000012629891
ZINC000012629894
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