Vitas-M small molecule compound
2-({6-[(4-chlorobenzyl)amino]pyrimidin-4-yl}sulfanyl)-N-(2,5-dimethoxyphenyl)acetamide
Catalog ID
STL079884
SMILES COc1ccc(cc1NC(=O)CSc1ncnc(c1)NCc1ccc(cc1)Cl)OC
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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 C21H21ClN4O3S MW 444.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN4O3S/c1-28-16-7-8-18(29-2)17(9-16)26-20(27)12-30-21-10-19(24-13-25-21)23-11-14-3-5-15(22)6-4-14/h3-10,13H,11-12H2,1-2H3,(H,26,27)(H,23,24,25)InChIKey
MJJHVPIZCPDTHN-UHFFFAOYSA-NSynonyms
1251683-14-31251683143
2((6((4chlorobenzyl)amino)pyrimidin4yl)sulfanyl)N(25dimethoxyphenyl)acetamide
2((6((4CHLOROBENZYL)AMINO)PYRIMIDIN4YL)THIO)N(25DIMETHOXYPHENYL)ACETAMIDE
2(6((4chlorophenyl)methylamino)pyrimidin4yl)sulfanylN(25dimethoxyphenyl)acetamide
COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC=NC(=C2)NCC3=CC=C(C=C3)Cl
InChI=1SC21H21ClN4O3Sc128167818(292)17(916)2620(27)1230211019(24132521)2311143515(22)6414h31013H1112H212H3(H2627)(H232425)
MFCD18200657
ZINC000049006717
ZINC49006717
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