Vitas-M small molecule compound
N-{[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-methyl-3-nitrobenzamide
Catalog ID
STK163652
SMILES S=C(NC(=O)c1cccc(c1C)[N+](=O)[O-])Nc1cccc(c1)c1nc2c(o1)ccc(c2)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 C22H15ClN4O4S MW 466.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15ClN4O4S/c1-12-16(6-3-7-18(12)27(29)30)20(28)26-22(32)24-15-5-2-4-13(10-15)21-25-17-11-14(23)8-9-19(17)31-21/h2-11H,1H3,(H2,24,26,28,32)InChIKey
QJVQNTBBTGDJFG-UHFFFAOYSA-NSynonyms
CC1=C(C=CC=C1(N+)(=O)(O))C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC(=C4)Cl
InChI=1SC22H15ClN4O4Sc11216(63718(12)27(29)30)20(28)2622(32)241552413(1015)2125171114(23)8919(17)3121h211H1H3(H224262832)
MFCD03137765
N((3(5CHLORO13BENZOXAZOL2YL)PHENYL)CARBAMOTHIOYL)2METHYL3NITROBENZAMIDE
S=C(NC(=O)c1cccc(c1C)(N+)(=O)(O))Nc1cccc(c1)c1nc2c(o1)ccc(c2)Cl
ZINC000001179569
ZINC01179569
ZINC1179569
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