Vitas-M small molecule compound
3-(4-hydroxy-7-methyl-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl 4-nitrobenzoate
Catalog ID
STK384814
SMILES CC1CCc2c(C1)sc1c2C(=NC(N1)c1cccc(c1)OC(=O)c1ccc(cc1)[N+](=O)[O-])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 C24H21N3O5S MW 463.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O5S/c1-13-5-10-18-19(11-13)33-23-20(18)22(28)25-21(26-23)15-3-2-4-17(12-15)32-24(29)14-6-8-16(9-7-14)27(30)31/h2-4,6-9,12-13,21,26H,5,10-11H2,1H3,(H,25,28)InChIKey
QYFSIEUQTKLWDM-UHFFFAOYSA-NSynonyms
(3(7methyl4oxo235678hexahydro1H(1)benzothiolo(23d)pyrimidin2yl)phenyl)4nitrobenzoate
3(4hydroxy7methyl125678hexahydro(1)benzothieno(23d)pyrimidin2yl)phenyl4nitrobenzoate
CC1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=CC=C4)OC(=O)C5=CC=C(C=C5)(N+)(=O)(O)
CC1CCc2c(C1)sc1c2C(=NC(N1)c1cccc(c1)OC(=O)c1ccc(cc1)(N+)(=O)(O))O
InChI=1SC24H21N3O5Sc1135101819(1113)332320(18)22(28)2521(2623)1532417(1215)3224(29)146816(9714)27(30)31h246912132126H51011H21H3(H2528)
MFCD11853278
ZINC000015947493
ZINC000015947499
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