Vitas-M small molecule compound
5-bromo-2-methoxy-3-methyl-N-{[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide
Catalog ID
STK355918
SMILES COc1c(C)cc(cc1C(=O)NC(=S)Nc1ccc2c(c1)nc(o2)c1ccncc1)Br
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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 C22H17BrN4O3S MW 497.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17BrN4O3S/c1-12-9-14(23)10-16(19(12)29-2)20(28)27-22(31)25-15-3-4-18-17(11-15)26-21(30-18)13-5-7-24-8-6-13/h3-11H,1-2H3,(H2,25,27,28,31)InChIKey
PEMDLRDJRVMDQO-UHFFFAOYSA-NSynonyms
5bromo2methoxy3methylN((2(pyridin4yl)13benzoxazol5yl)carbamothioyl)benzamide
5BROMO2METHOXY3METHYLN((2PYRIDIN4YL13BENZOXAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=NC=C4)OC
InChI=1SC22H17BrN4O3Sc112914(23)1016(19(12)292)20(28)2722(31)2515341817(1115)2621(3018)1357248613h311H12H3(H225272831)
MFCD05798177
ZINC000016269680
ZINC16269680
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