Vitas-M small molecule compound
4-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl 4-nitrobenzoate
Catalog ID
STK382161
SMILES CC1CCc2c(C1)sc1c2C(=O)NC(N1)c1ccc(cc1)OC(=O)c1ccc(cc1)[N+](=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/c1-13-2-11-18-19(12-13)33-23-20(18)22(28)25-21(26-23)14-5-9-17(10-6-14)32-24(29)15-3-7-16(8-4-15)27(30)31/h3-10,13,21,26H,2,11-12H2,1H3,(H,25,28)InChIKey
OZZKAMJGKRDEEH-UHFFFAOYSA-NSynonyms
(4(7methyl4oxo235678hexahydro1H(1)benzothiolo(23d)pyrimidin2yl)phenyl)4nitrobenzoate
4(7methyl4oxo12345678octahydro(1)benzothieno(23d)pyrimidin2yl)phenyl4nitrobenzoate
CC1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)(N+)(=O)(O)
CC1CCc2c(C1)sc1c2C(=O)NC(N1)c1ccc(cc1)OC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC24H21N3O5Sc1132111819(1213)332320(18)22(28)2521(2623)145917(10614)3224(29)153716(8415)27(30)31h310132126H21112H21H3(H2528)
MFCD02915473
ZINC000008722377
ZINC000008722380
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