Vitas-M small molecule compound
N-{[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-methoxy-3-nitrobenzamide
Catalog ID
STL381837
SMILES COc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1ccc(c(c1)c1nc2c(o1)cc(cc2)C)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 C23H17ClN4O5S MW 496.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17ClN4O5S/c1-12-3-7-17-20(9-12)33-22(26-17)15-11-14(5-6-16(15)24)25-23(34)27-21(29)13-4-8-19(32-2)18(10-13)28(30)31/h3-11H,1-2H3,(H2,25,27,29,34)InChIKey
PFLMTUCAIHAWEU-UHFFFAOYSA-NSynonyms
CC1=CC2=C(C=C1)N=C(O2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)(N+)(=O)(O))Cl
COc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1ccc(c(c1)c1nc2c(o1)cc(cc2)C)Cl
InChI=1SC23H17ClN4O5Sc112371720(912)3322(2617)151114(5616(15)24)2523(34)2721(29)134819(322)18(1013)28(30)31h311H12H3(H225272934)
MFCD02810873
N((4chloro3(6methyl13benzoxazol2yl)phenyl)carbamothioyl)4methoxy3nitrobenzamide
ZINC000002978682
ZINC02978682
ZINC2978682
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