Vitas-M small molecule compound
3-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-2-nitrobenzoate
Catalog ID
STK072879
SMILES Clc1ccc(c(c1)[N+](=O)[O-])C(=O)Oc1cccc(c1)C(=S)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/c19-13-4-5-15(16(11-13)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
ZBEDXMXBAVSCNU-UHFFFAOYSA-NSynonyms
(3(MORPHOLINE4CARBOTHIOYL)PHENYL)4CHLORO2NITROBENZOATE
3(MORPHOLIN4YLCARBONOTHIOYL)PHENYL4CHLORO2NITROBENZOATE
C1COCCN1C(=S)C2=CC(=CC=C2)OC(=O)C3=C(C=C(C=C3)Cl)(N+)(=O)(O)
Clc1ccc(c(c1)(N+)(=O)(O))C(=O)Oc1cccc(c1)C(=S)N1CCOCC1
InChI=1SC18H15ClN2O5Sc19134515(16(1113)21(23)24)18(22)261431212(1014)17(27)2068259720h151011H69H2
MFCD08671199
STK072879
ZINC000004599891
ZINC04599891
ZINC4599891
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