Vitas-M small molecule compound
N-{[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-ethoxy-3-nitrobenzamide
Catalog ID
STK163650
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)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 C23H17ClN4O5S MW 496.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17ClN4O5S/c1-2-32-20-8-6-13(11-18(20)28(30)31)21(29)27-23(34)25-16-5-3-4-14(10-16)22-26-17-12-15(24)7-9-19(17)33-22/h3-12H,2H2,1H3,(H2,25,27,29,34)InChIKey
SBYUCTAGUHEXMQ-UHFFFAOYSA-NSynonyms
CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC(=C4)Cl)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1cccc(c1)c1nc2c(o1)ccc(c2)Cl
InChI=1SC23H17ClN4O5Sc1232208613(1118(20)28(30)31)21(29)2723(34)251653414(1016)2226171215(24)7919(17)3322h312H2H21H3(H225272934)
MFCD02820643
N((3(5CHLORO13BENZOXAZOL2YL)PHENYL)CARBAMOTHIOYL)4ETHOXY3NITROBENZAMIDE
ZINC000002985045
ZINC02985045
ZINC2985045
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