Vitas-M small molecule compound
3-methyl-2-{4-[(3-nitrophenyl)carbonyl]piperazin-1-yl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK638873
SMILES O=C(c1cccc(c1)[N+](=O)[O-])N1CCN(CC1)c1nc2sc3c(c2c(=O)n1C)CCCC3
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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 C22H23N5O4S MW 453.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O4S/c1-24-21(29)18-16-7-2-3-8-17(16)32-19(18)23-22(24)26-11-9-25(10-12-26)20(28)14-5-4-6-15(13-14)27(30)31/h4-6,13H,2-3,7-12H2,1H3InChIKey
WVHCCGQZNTXFAX-UHFFFAOYSA-NSynonyms
951941-62-13methyl2(4((3nitrophenyl)carbonyl)piperazin1yl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3methyl2(4(3nitrobenzoyl)piperazin1yl)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
3methyl2(4(3nitrobenzoyl)piperazin1yl)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
951941621
CN1C(=O)C2=C(N=C1N3CCN(CC3)C(=O)C4=CC(=CC=C4)(N+)(=O)(O))SC5=C2CCCC5
InChI=1SC22H23N5O4Sc12421(29)1816723817(16)3219(18)2322(24)2611925(101226)20(28)1454615(1314)27(30)31h4613H23712H21H3
MFCD09854696
O=C(c1cccc(c1)(N+)(=O)(O))N1CCN(CC1)c1nc2sc3c(c2c(=O)n1C)CCCC3
ZINC000013719758
ZINC13719758
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