Vitas-M small molecule compound
7-tert-butyl-2-(3-ethoxy-4-hydroxy-5-iodophenyl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Catalog ID
STK382490
SMILES CCOc1cc(cc(c1O)I)C1NC(=O)c2c(N1)sc1c2CCC(C1)C(C)(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 C22H27IN2O3S MW 526.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27IN2O3S/c1-5-28-15-9-11(8-14(23)18(15)26)19-24-20(27)17-13-7-6-12(22(2,3)4)10-16(13)29-21(17)25-19/h8-9,12,19,25-26H,5-7,10H2,1-4H3,(H,24,27)InChIKey
VRKKXMNXZIBARC-UHFFFAOYSA-NSynonyms
7tertbutyl2(3ethoxy4hydroxy5iodophenyl)235678hexahydro(1)benzothieno(23d)pyrimidin4(1H)one
7tertbutyl2(3ethoxy4hydroxy5iodophenyl)235678hexahydro1H(1)benzothiolo(23d)pyrimidin4one
CCOC1=C(C(=CC(=C1)C2NC3=C(C4=C(S3)CC(CC4)C(C)(C)C)C(=O)N2)I)O
InChI=1SC22H27IN2O3Sc152815911(814(23)18(15)26)192420(27)17137612(22(23)4)1016(13)2921(17)2519h8912192526H5710H214H3(H2427)
MFCD02916200
ZINC000015945218
ZINC000015945223
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