Vitas-M small molecule compound
(5Z)-5-(3-bromo-4-hydroxy-5-nitrobenzylidene)-2-[(2-chlorophenyl)amino]-1,3-thiazol-4(5H)-one
Catalog ID
STL406895
SMILES O=C1N=C(S/C/1=C\c1cc(Br)c(c(c1)[N+](=O)[O-])O)Nc1ccccc1Cl
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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 C16H9BrClN3O4S MW 454.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H9BrClN3O4S/c17-9-5-8(6-12(14(9)22)21(24)25)7-13-15(23)20-16(26-13)19-11-4-2-1-3-10(11)18/h1-7,22H,(H,19,20,23)/b13-7-InChIKey
IGWPEEIKKHKMHH-QPEQYQDCSA-NSynonyms
(5Z)5(3bromo4hydroxy5nitrobenzylidene)2((2chlorophenyl)amino)13thiazol4(5H)one
C1=CC=C(C(=C1)NC2=NC(=O)C(=CC3=CC(=C(C(=C3)Br)O)(N+)(=O)(O))S2)Cl
InChI=1SC16H9BrClN3O4Sc17958(612(14(9)22)21(24)25)71315(23)2016(2613)1911421310(11)18h1722H(H192023)b137
MFCD30704561
O=C1N=C(SC1=Cc1cc(Br)c(c(c1)(N+)(=O)(O))O)Nc1ccccc1Cl
ZINC000033793474
ZINC33793474
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