Vitas-M small molecule compound
N-{[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-4-methoxy-3-nitrobenzamide
Catalog ID
STL062242
SMILES COc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1ccc2c(c1)nc(o2)c1ccc(c(c1)C)C
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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 C24H20N4O5S MW 476.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N4O5S/c1-13-4-5-16(10-14(13)2)23-26-18-12-17(7-9-20(18)33-23)25-24(34)27-22(29)15-6-8-21(32-3)19(11-15)28(30)31/h4-12H,1-3H3,(H2,25,27,29,34)InChIKey
NHYWQBUPMWSLOM-UHFFFAOYSA-NSynonyms
531545-33-2531545332
CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)(N+)(=O)(O))C
COc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1ccc2c(c1)nc(o2)c1ccc(c(c1)C)C
InChI=1SC24H20N4O5Sc1134516(1014(13)2)2326181217(7920(18)3323)2524(34)2722(29)156821(323)19(1115)28(30)31h412H13H3(H225272934)
MFCD03567418
N((2(34dimethylphenyl)13benzoxazol5yl)carbamothioyl)4methoxy3nitrobenzamide
N((2(34dimethylphenyl)benzo(d)oxazol5yl)carbamothioyl)4methoxy3nitrobenzamide
ZINC000002221417
ZINC02221417
ZINC2221417
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