Vitas-M small molecule compound
4-(4-hydroxy-7-methyl-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl 4-chlorobenzoate
Catalog ID
STK384868
SMILES CC1CCc2c(C1)sc1c2C(=NC(N1)c1ccc(cc1)OC(=O)c1ccc(cc1)Cl)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 C24H21ClN2O3S MW 452.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21ClN2O3S/c1-13-2-11-18-19(12-13)31-23-20(18)22(28)26-21(27-23)14-5-9-17(10-6-14)30-24(29)15-3-7-16(25)8-4-15/h3-10,13,21,27H,2,11-12H2,1H3,(H,26,28)InChIKey
YGBUCHWYAUBILH-UHFFFAOYSA-NSynonyms
(4(7methyl4oxo235678hexahydro1H(1)benzothiolo(23d)pyrimidin2yl)phenyl)4chlorobenzoate
4(4hydroxy7methyl125678hexahydro(1)benzothieno(23d)pyrimidin2yl)phenyl4chlorobenzoate
CC1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)Cl
InChI=1SC24H21ClN2O3Sc1132111819(1213)312320(18)22(28)2621(2723)145917(10614)3024(29)153716(25)8415h310132127H21112H21H3(H2628)
MFCD11853332
ZINC000015947694
ZINC000015947699
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