Vitas-M small molecule compound
2-(5-bromo-2-hydroxyphenyl)-7-tert-butyl-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Catalog ID
STK375194
SMILES Brc1ccc(c(c1)C1NC(=O)c2c(N1)sc1c2CCC(C1)C(C)(C)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 C20H23BrN2O2S MW 435.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23BrN2O2S/c1-20(2,3)10-4-6-12-15(8-10)26-19-16(12)18(25)22-17(23-19)13-9-11(21)5-7-14(13)24/h5,7,9-10,17,23-24H,4,6,8H2,1-3H3,(H,22,25)InChIKey
QTFBGSKBYZNYHK-UHFFFAOYSA-NSynonyms
2(5bromo2hydroxyphenyl)7tertbutyl235678hexahydro(1)benzothieno(23d)pyrimidin4(1H)one
2(5bromo2hydroxyphenyl)7tertbutyl235678hexahydro1H(1)benzothiolo(23d)pyrimidin4one
CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=C(C=CC(=C4)Br)O
InChI=1SC20H23BrN2O2Sc120(23)10461215(810)261916(12)18(25)2217(2319)13911(21)5714(13)24h57910172324H468H213H3(H2225)
MFCD01042087
ZINC000004132899
ZINC000004132904
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