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)-2-methoxyphenyl furan-2-carboxylate
Catalog ID
STK384816
SMILES COc1cc(ccc1OC(=O)c1ccco1)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 C23H22N2O5S MW 438.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O5S/c1-12-5-7-14-18(10-12)31-22-19(14)21(26)24-20(25-22)13-6-8-15(17(11-13)28-2)30-23(27)16-4-3-9-29-16/h3-4,6,8-9,11-12,20,25H,5,7,10H2,1-2H3,(H,24,26)InChIKey
DSHDFUDUMXINMD-UHFFFAOYSA-NSynonyms
(2methoxy4(7methyl4oxo235678hexahydro1H(1)benzothiolo(23d)pyrimidin2yl)phenyl)furan2carboxylate
4(4hydroxy7methyl125678hexahydro(1)benzothieno(23d)pyrimidin2yl)2methoxyphenylfuran2carboxylate
CC1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=C(C=C4)OC(=O)C5=CC=CO5)OC
InChI=1SC23H22N2O5Sc112571418(1012)312219(14)21(26)2420(2522)136815(17(1113)282)3023(27)164392916h3468911122025H5710H212H3(H2426)
MFCD11853280
ZINC000015947501
ZINC000015947507
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