Vitas-M small molecule compound
2-methoxy-5-(morpholin-4-ylcarbonothioyl)phenyl 2-chloro-4-nitrobenzoate
Catalog ID
STK035542
SMILES COc1ccc(cc1OC(=O)c1ccc(cc1Cl)[N+](=O)[O-])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/c1-26-16-5-2-12(18(29)21-6-8-27-9-7-21)10-17(16)28-19(23)14-4-3-13(22(24)25)11-15(14)20/h2-5,10-11H,6-9H2,1H3InChIKey
UBGVJEQESUVFEJ-UHFFFAOYSA-NSynonyms
(2METHOXY5(MORPHOLINE4CARBOTHIOYL)PHENYL)2CHLORO4NITROBENZOATE
2METHOXY5(MORPHOLIN4YLCARBONOTHIOYL)PHENYL2CHLORO4NITROBENZOATE
2METHOXY5(MORPHOLIN4YLCARBOTHIOYL)PHENYL2CHLORO4NITROBENZOATE
COC1=C(C=C(C=C1)C(=S)N2CCOCC2)OC(=O)C3=C(C=C(C=C3)(N+)(=O)(O))Cl
COc1ccc(cc1OC(=O)c1ccc(cc1Cl)(N+)(=O)(O))C(=S)N1CCOCC1
InChI=1SC19H17ClN2O6Sc126165212(18(29)2168279721)1017(16)2819(23)144313(22(24)25)1115(14)20h251011H69H21H3
MFCD03992634
STK035542
ZINC000001156897
ZINC01156897
ZINC1156897
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