Vitas-M small molecule compound
2-(5-bromo-2-hydroxy-3-methoxyphenyl)-7-methyl-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4-ol
Catalog ID
STK384829
SMILES COc1cc(Br)cc(c1O)C1N=C(O)c2c(N1)sc1c2CCC(C1)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 C18H19BrN2O3S MW 423.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19BrN2O3S/c1-8-3-4-10-13(5-8)25-18-14(10)17(23)20-16(21-18)11-6-9(19)7-12(24-2)15(11)22/h6-8,16,21-22H,3-5H2,1-2H3,(H,20,23)InChIKey
KIMZEGRPPHVYOX-UHFFFAOYSA-NSynonyms
2(5bromo2hydroxy3methoxyphenyl)7methyl125678hexahydro(1)benzothieno(23d)pyrimidin4ol
2(5bromo2hydroxy3methoxyphenyl)7methyl235678hexahydro1H(1)benzothiolo(23d)pyrimidin4one
CC1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=CC(=C4O)OC)Br
InChI=1SC18H19BrN2O3Sc18341013(58)251814(10)17(23)2016(2118)1169(19)712(242)15(11)22h68162122H35H212H3(H2023)
MFCD11853293
ZINC000015947567
ZINC000015947573
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