Vitas-M small molecule compound
5-[3-bromo-4-(butan-2-yloxy)-5-methoxybenzylidene]-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK188067
SMILES CCC(Oc1c(Br)cc(cc1OC)C=C1C(=O)N(C)C(=S)N(C1=O)C)C
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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 C18H21BrN2O4S MW 441.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21BrN2O4S/c1-6-10(2)25-15-13(19)8-11(9-14(15)24-5)7-12-16(22)20(3)18(26)21(4)17(12)23/h7-10H,6H2,1-5H3InChIKey
OSKVLBFGRDRNKB-UHFFFAOYSA-NSynonyms
5((3bromo4butan2yloxy5methoxyphenyl)methylidene)13dimethyl2sulfanylidene13diazinane46dione
5(3BROMO4(BUTAN2YLOXY)5METHOXYBENZYLIDENE)13DIMETHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCC(C)OC1=C(C=C(C=C1Br)C=C2C(=O)N(C(=S)N(C2=O)C)C)OC
InChI=1SC18H21BrN2O4Sc1610(2)251513(19)811(914(15)245)71216(22)20(3)18(26)21(4)17(12)23h710H6H215H3
MFCD04544582
ZINC000009259378
ZINC000009259380
ZINC09259378
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