Vitas-M small molecule compound
2-chloro-4-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-2-nitrobenzoate
Catalog ID
STK085263
SMILES Clc1ccc(c(c1)[N+](=O)[O-])C(=O)Oc1ccc(cc1Cl)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 C18H14Cl2N2O5S MW 441.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14Cl2N2O5S/c19-12-2-3-13(15(10-12)22(24)25)18(23)27-16-4-1-11(9-14(16)20)17(28)21-5-7-26-8-6-21/h1-4,9-10H,5-8H2InChIKey
WPXDYAJCMMWTAL-UHFFFAOYSA-NSynonyms
(2CHLORO4(MORPHOLINE4CARBOTHIOYL)PHENYL)4CHLORO2NITROBENZOATE
2CHLORO4(MORPHOLIN4YLCARBONOTHIOYL)PHENYL4CHLORO2NITROBENZOATE
C1COCCN1C(=S)C2=CC(=C(C=C2)OC(=O)C3=C(C=C(C=C3)Cl)(N+)(=O)(O))Cl
Clc1ccc(c(c1)(N+)(=O)(O))C(=O)Oc1ccc(cc1Cl)C(=S)N1CCOCC1
InChI=1SC18H14Cl2N2O5Sc19122313(15(1012)22(24)25)18(23)27164111(914(16)20)17(28)2157268621h14910H58H2
MFCD03992686
STK085263
ZINC000002999288
ZINC02999288
ZINC2999288
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