Vitas-M small molecule compound
2-methoxy-5-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate
Catalog ID
STK030671
SMILES COc1ccc(cc1OC(=O)c1ccc(c(c1)[N+](=O)[O-])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 C19H17ClN2O6S MW 436.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17ClN2O6S/c1-26-16-5-3-12(18(29)21-6-8-27-9-7-21)11-17(16)28-19(23)13-2-4-14(20)15(10-13)22(24)25/h2-5,10-11H,6-9H2,1H3InChIKey
DWGRSUCAJDJZFB-UHFFFAOYSA-NSynonyms
(2METHOXY5(MORPHOLINE4CARBOTHIOYL)PHENYL)4CHLORO3NITROBENZOATE
2METHOXY5(MORPHOLIN4YLCARBONOTHIOYL)PHENYL4CHLORO3NITROBENZOATE
COC1=C(C=C(C=C1)C(=S)N2CCOCC2)OC(=O)C3=CC(=C(C=C3)Cl)(N+)(=O)(O)
COc1ccc(cc1OC(=O)c1ccc(c(c1)(N+)(=O)(O))Cl)C(=S)N1CCOCC1
InChI=1SC19H17ClN2O6Sc126165312(18(29)2168279721)1117(16)2819(23)132414(20)15(1013)22(24)25h251011H69H21H3
MFCD02904255
STK030671
ZINC000013940851
ZINC13940851
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