Vitas-M small molecule compound
{3-bromo-5-methoxy-4-[(3-nitrobenzyl)oxy]phenyl}(pyrrolidin-1-yl)methanethione
Catalog ID
STL411891
SMILES COc1cc(cc(c1OCc1cccc(c1)[N+](=O)[O-])Br)C(=S)N1CCCC1
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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 C19H19BrN2O4S MW 451.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19BrN2O4S/c1-25-17-11-14(19(27)21-7-2-3-8-21)10-16(20)18(17)26-12-13-5-4-6-15(9-13)22(23)24/h4-6,9-11H,2-3,7-8,12H2,1H3InChIKey
JEXLAZXKNXJIRS-UHFFFAOYSA-NSynonyms
(3bromo5methoxy4((3nitrobenzyl)oxy)phenyl)(pyrrolidin1yl)methanethione
(3BROMO5METHOXY4((3NITROPHENYL)METHOXY)PHENYL)PYRROLIDIN1YLMETHANETHIONE
COC1=C(C(=CC(=C1)C(=S)N2CCCC2)Br)OCC3=CC(=CC=C3)(N+)(=O)(O)
COc1cc(cc(c1OCc1cccc(c1)(N+)(=O)(O))Br)C(=S)N1CCCC1
InChI=1SC19H19BrN2O4Sc125171114(19(27)21723821)1016(20)18(17)26121354615(913)22(23)24h46911H237812H21H3
MFCD05998280
ZINC000001072884
ZINC01072884
ZINC1072884
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