Vitas-M small molecule compound
2-(5-bromo-2-hydroxy-3-methylphenyl)-7-methyl-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4-ol
Catalog ID
STK384805
SMILES CC1CCc2c(C1)sc1c2C(=NC(N1)c1cc(Br)cc(c1O)C)O
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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 C18H19BrN2O2S MW 407.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19BrN2O2S/c1-8-3-4-11-13(5-8)24-18-14(11)17(23)20-16(21-18)12-7-10(19)6-9(2)15(12)22/h6-8,16,21-22H,3-5H2,1-2H3,(H,20,23)InChIKey
NVGVUQORWSKBCQ-UHFFFAOYSA-NSynonyms
2(5bromo2hydroxy3methylphenyl)7methyl125678hexahydro(1)benzothieno(23d)pyrimidin4ol
2(5bromo2hydroxy3methylphenyl)7methyl235678hexahydro1H(1)benzothiolo(23d)pyrimidin4one
CC1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=CC(=C4O)C)Br
InChI=1SC18H19BrN2O2Sc18341113(58)241814(11)17(23)2016(2118)12710(19)69(2)15(12)22h68162122H35H212H3(H2023)
MFCD11853269
ZINC000004571303
ZINC000004571314
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