Vitas-M small molecule compound
{3-bromo-5-methoxy-4-[(3-nitrobenzyl)oxy]phenyl}(morpholin-4-yl)methanethione
Catalog ID
STL376444
SMILES COc1cc(cc(c1OCc1cccc(c1)[N+](=O)[O-])Br)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 C19H19BrN2O5S MW 467.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19BrN2O5S/c1-25-17-11-14(19(28)21-5-7-26-8-6-21)10-16(20)18(17)27-12-13-3-2-4-15(9-13)22(23)24/h2-4,9-11H,5-8,12H2,1H3InChIKey
ZYGLSVFZGYYKLY-UHFFFAOYSA-NSynonyms
(3bromo5methoxy4((3nitrobenzyl)oxy)phenyl)(morpholin4yl)methanethione
(3BROMO5METHOXY4((3NITROPHENYL)METHOXY)PHENYL)MORPHOLIN4YLMETHANETHIONE
COC1=C(C(=CC(=C1)C(=S)N2CCOCC2)Br)OCC3=CC(=CC=C3)(N+)(=O)(O)
COc1cc(cc(c1OCc1cccc(c1)(N+)(=O)(O))Br)C(=S)N1CCOCC1
InChI=1SC19H19BrN2O5Sc125171114(19(28)2157268621)1016(20)18(17)27121332415(913)22(23)24h24911H5812H21H3
MFCD05998348
ZINC000001049408
ZINC01049408
ZINC1049408
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