Vitas-M small molecule compound
N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-nitrobenzamide
Catalog ID
STK173031
SMILES S=C(NC(=O)c1cccc(c1)[N+](=O)[O-])Nc1ccc(cc1)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 C21H13ClN4O4S MW 452.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13ClN4O4S/c22-14-6-9-18-17(11-14)24-20(30-18)12-4-7-15(8-5-12)23-21(31)25-19(27)13-2-1-3-16(10-13)26(28)29/h1-11H,(H2,23,25,27,31)InChIKey
BXHNNWXRGPZHKM-UHFFFAOYSA-NSynonyms
C1=CC(=CC(=C1)(N+)(=O)(O))C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)Cl
InChI=1SC21H13ClN4O4Sc2214691817(1114)2420(3018)124715(8512)2321(31)2519(27)1321316(1013)26(28)29h111H(H223252731)
MFCD02631848
N((4(5CHLORO13BENZOXAZOL2YL)PHENYL)CARBAMOTHIOYL)3NITROBENZAMIDE
S=C(NC(=O)c1cccc(c1)(N+)(=O)(O))Nc1ccc(cc1)c1nc2c(o1)ccc(c2)Cl
ZINC000001173690
ZINC01173690
ZINC1173690
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