Vitas-M small molecule compound
2-methoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-2-nitrobenzoate
Catalog ID
STK072906
SMILES COc1cc(ccc1OC(=O)c1ccc(cc1[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/c1-26-17-10-12(18(29)21-6-8-27-9-7-21)2-5-16(17)28-19(23)14-4-3-13(20)11-15(14)22(24)25/h2-5,10-11H,6-9H2,1H3InChIKey
YPOMCWYFXDGECR-UHFFFAOYSA-NSynonyms
(2METHOXY4(MORPHOLINE4CARBOTHIOYL)PHENYL)4CHLORO2NITROBENZOATE
2METHOXY4(MORPHOLIN4YLCARBONOTHIOYL)PHENYL4CHLORO2NITROBENZOATE
2METHOXY4(MORPHOLIN4YLCARBOTHIOYL)PHENYL4CHLORO2NITROBENZOATE
COC1=C(C=CC(=C1)C(=S)N2CCOCC2)OC(=O)C3=C(C=C(C=C3)Cl)(N+)(=O)(O)
COc1cc(ccc1OC(=O)c1ccc(cc1(N+)(=O)(O))Cl)C(=S)N1CCOCC1
InChI=1SC19H17ClN2O6Sc126171012(18(29)2168279721)2516(17)2819(23)144313(20)1115(14)22(24)25h251011H69H21H3
MFCD03992659
STK072906
ZINC000001157462
ZINC01157462
ZINC1157462
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