Vitas-M small molecule compound
2,4-dibromo-6-[4-hydroxy-7-(2-methylbutan-2-yl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]benzene-1,3-diol
Catalog ID
STK383222
SMILES CCC(C1CCc2c(C1)sc1c2C(=NC(N1)c1cc(Br)c(c(c1O)Br)O)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 C21H24Br2N2O3S MW 544.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24Br2N2O3S/c1-4-21(2,3)9-5-6-10-13(7-9)29-20-14(10)19(28)24-18(25-20)11-8-12(22)17(27)15(23)16(11)26/h8-9,18,25-27H,4-7H2,1-3H3,(H,24,28)InChIKey
KSGJPHCSDGFVTG-UHFFFAOYSA-NSynonyms
2(35dibromo24dihydroxyphenyl)7(2methylbutan2yl)235678hexahydro1H(1)benzothiolo(23d)pyrimidin4one
24dibromo6(4hydroxy7(2methylbutan2yl)125678hexahydro(1)benzothieno(23d)pyrimidin2yl)benzene13diol
CCC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=C(C(=C4O)Br)O)Br
InChI=1SC21H24Br2N2O3Sc1421(23)9561013(79)292014(10)19(28)2418(2520)11812(22)17(27)15(23)16(11)26h89182527H47H213H3(H2428)
MFCD03103575
ZINC000102088499
ZINC000102088517
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