Vitas-M small molecule compound
7-methyl-2-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4-ol
Catalog ID
STK384880
SMILES CC1CCc2c(C1)sc1c2C(=NC(N1)c1ccc(o1)c1ccc(cc1[N+](=O)[O-])C)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 C22H21N3O4S MW 423.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O4S/c1-11-3-5-13(15(9-11)25(27)28)16-7-8-17(29-16)20-23-21(26)19-14-6-4-12(2)10-18(14)30-22(19)24-20/h3,5,7-9,12,20,24H,4,6,10H2,1-2H3,(H,23,26)InChIKey
ZCQJNRBEZCADDU-UHFFFAOYSA-NSynonyms
7methyl2(5(4methyl2nitrophenyl)furan2yl)125678hexahydro(1)benzothieno(23d)pyrimidin4ol
7methyl2(5(4methyl2nitrophenyl)furan2yl)235678hexahydro1H(1)benzothiolo(23d)pyrimidin4one
CC1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC=C(O4)C5=C(C=C(C=C5)C)(N+)(=O)(O)
CC1CCc2c(C1)sc1c2C(=NC(N1)c1ccc(o1)c1ccc(cc1(N+)(=O)(O))C)O
InChI=1SC22H21N3O4Sc1113513(15(911)25(27)28)167817(2916)202321(26)19146412(2)1018(14)3022(19)2420h3579122024H4610H212H3(H2326)
MFCD11853344
ZINC000015947771
ZINC000015947776
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