Vitas-M small molecule compound
2-bromo-4-(4-hydroxy-7-methyl-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)-6-methoxyphenyl 4-methylbenzoate
Catalog ID
STK384848
SMILES COc1cc(cc(c1OC(=O)c1ccc(cc1)C)Br)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 C26H25BrN2O4S MW 541.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25BrN2O4S/c1-13-4-7-15(8-5-13)26(31)33-22-18(27)11-16(12-19(22)32-3)23-28-24(30)21-17-9-6-14(2)10-20(17)34-25(21)29-23/h4-5,7-8,11-12,14,23,29H,6,9-10H2,1-3H3,(H,28,30)InChIKey
ATBUPLQRDKVSMH-UHFFFAOYSA-NSynonyms
(2bromo6methoxy4(7methyl4oxo235678hexahydro1H(1)benzothiolo(23d)pyrimidin2yl)phenyl)4methylbenzoate
2bromo4(4hydroxy7methyl125678hexahydro(1)benzothieno(23d)pyrimidin2yl)6methoxyphenyl4methylbenzoate
CC1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=C(C(=C4)Br)OC(=O)C5=CC=C(C=C5)C)OC
InChI=1SC26H25BrN2O4Sc1134715(8513)26(31)332218(27)1116(1219(22)323)232824(30)21179614(2)1020(17)3425(21)2923h45781112142329H6910H213H3(H2830)
MFCD11853312
ZINC000100913799
ZINC000100913803
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