Vitas-M small molecule compound
7-tert-butyl-2-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Catalog ID
STK382555
SMILES CCOc1cc(C2NC(=O)c3c(N2)sc2c3CCC(C2)C(C)(C)C)c(c(c1O)Br)Br
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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 C22H26Br2N2O3S MW 558.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26Br2N2O3S/c1-5-29-13-9-12(16(23)17(24)18(13)27)19-25-20(28)15-11-7-6-10(22(2,3)4)8-14(11)30-21(15)26-19/h9-10,19,26-27H,5-8H2,1-4H3,(H,25,28)InChIKey
QZZFVYZGISEXOH-UHFFFAOYSA-NSynonyms
7tertbutyl2(23dibromo5ethoxy4hydroxyphenyl)235678hexahydro(1)benzothieno(23d)pyrimidin4(1H)one
7tertbutyl2(23dibromo5ethoxy4hydroxyphenyl)235678hexahydro1H(1)benzothiolo(23d)pyrimidin4one
CCOC1=C(C(=C(C(=C1)C2NC3=C(C4=C(S3)CC(CC4)C(C)(C)C)C(=O)N2)Br)Br)O
InChI=1SC22H26Br2N2O3Sc152913912(16(23)17(24)18(13)27)192520(28)15117610(22(23)4)814(11)3021(15)2619h910192627H58H214H3(H2528)
MFCD11853216
ZINC000102594967
ZINC000102594974
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