Vitas-M small molecule compound
3-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate
Catalog ID
STK098232
SMILES S=C(c1cccc(c1)OC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl)N1CCOCC1
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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 C18H15ClN2O5S MW 406.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15ClN2O5S/c19-15-5-4-13(11-16(15)21(23)24)18(22)26-14-3-1-2-12(10-14)17(27)20-6-8-25-9-7-20/h1-5,10-11H,6-9H2InChIKey
UCBGGVAFVQOWFF-UHFFFAOYSA-NSynonyms
(3(MORPHOLINE4CARBOTHIOYL)PHENYL)4CHLORO3NITROBENZOATE
3(MORPHOLIN4YLCARBONOTHIOYL)PHENYL4CHLORO3NITROBENZOATE
C1COCCN1C(=S)C2=CC(=CC=C2)OC(=O)C3=CC(=C(C=C3)Cl)(N+)(=O)(O)
InChI=1SC18H15ClN2O5Sc19155413(1116(15)21(23)24)18(22)261431212(1014)17(27)2068259720h151011H69H2
MFCD02904260
S=C(c1cccc(c1)OC(=O)c1ccc(c(c1)(N+)(=O)(O))Cl)N1CCOCC1
STK098232
ZINC000004677204
ZINC04677204
ZINC4677204
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