Vitas-M small molecule compound
2-(6-chloro-1,3-benzodioxol-5-yl)-7-(2-methylbutan-2-yl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4-ol
Catalog ID
STK383127
SMILES CCC(C1CCc2c(C1)sc1c2C(=NC(N1)c1cc2OCOc2cc1Cl)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 C22H25ClN2O3S MW 432.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25ClN2O3S/c1-4-22(2,3)11-5-6-12-17(7-11)29-21-18(12)20(26)24-19(25-21)13-8-15-16(9-14(13)23)28-10-27-15/h8-9,11,19,25H,4-7,10H2,1-3H3,(H,24,26)InChIKey
VORJTHCALATLOZ-UHFFFAOYSA-NSynonyms
2(6chloro13benzodioxol5yl)7(2methylbutan2yl)125678hexahydro(1)benzothieno(23d)pyrimidin4ol
2(6chloro13benzodioxol5yl)7(2methylbutan2yl)235678hexahydro1H(1)benzothiolo(23d)pyrimidin4one
CCC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC5=C(C=C4Cl)OCO5
InChI=1SC22H25ClN2O3Sc1422(23)11561217(711)292118(12)20(26)2419(2521)1381516(914(13)23)28102715h89111925H4710H213H3(H2426)
MFCD03103369
ZINC000015945748
ZINC000015945754
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