Vitas-M small molecule compound
4-bromo-2-(morpholin-4-ylcarbonothioyl)phenyl 3,4,5-trimethoxybenzoate
Catalog ID
STL382838
SMILES COc1c(OC)cc(cc1OC)C(=O)Oc1ccc(cc1C(=S)N1CCOCC1)Br
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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 C21H22BrNO6S MW 496.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrNO6S/c1-25-17-10-13(11-18(26-2)19(17)27-3)21(24)29-16-5-4-14(22)12-15(16)20(30)23-6-8-28-9-7-23/h4-5,10-12H,6-9H2,1-3H3InChIKey
TXSRUVVXURWMMP-UHFFFAOYSA-NSynonyms
(4BROMO2(MORPHOLINE4CARBOTHIOYL)PHENYL)345TRIMETHOXYBENZOATE
345TRIMETHOXYBENZOICACID4BROMO2(MORPHOLINE4CARBOTHIOYL)PHENYLESTER
4bromo2(morpholin4ylcarbonothioyl)phenyl345trimethoxybenzoate
COC1=CC(=CC(=C1OC)OC)C(=O)OC2=C(C=C(C=C2)Br)C(=S)N3CCOCC3
InChI=1SC21H22BrNO6Sc125171013(1118(262)19(17)273)21(24)29165414(22)1215(16)20(30)2368289723h451012H69H213H3
MFCD01062473
ZINC000006906195
ZINC06906195
ZINC6906195
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