Vitas-M small molecule compound

2-chloro-6-methoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate

Catalog ID
STK005817
SMILES COc1cc(cc(c1OC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl)Cl)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 C19H16Cl2N2O6S MW 471.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16Cl2N2O6S/c1-27-16-10-12(18(30)22-4-6-28-7-5-22)8-14(21)17(16)29-19(24)11-2-3-13(20)15(9-11)23(25)26/h2-3,8-10H,4-7H2,1H3
InChIKey
BKBYPJXKHFQKDR-UHFFFAOYSA-N
Synonyms

(2CHLORO6METHOXY4(MORPHOLINE4CARBOTHIOYL)PHENYL)4CHLORO3NITROBENZOATE
2CHLORO6METHOXY4(MORPHOLIN4YLCARBONOTHIOYL)PHENYL4CHLORO3NITROBENZOATE
COC1=C(C(=CC(=C1)C(=S)N2CCOCC2)Cl)OC(=O)C3=CC(=C(C=C3)Cl)(N+)(=O)(O)
COc1cc(cc(c1OC(=O)c1ccc(c(c1)(N+)(=O)(O))Cl)Cl)C(=S)N1CCOCC1
InChI=1SC19H16Cl2N2O6Sc127161012(18(30)2246287522)814(21)17(16)2919(24)112313(20)15(911)23(25)26h23810H47H21H3
MFCD02904261
STK005817
ZINC000012285279
ZINC12285279

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Available files

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