Vitas-M small molecule compound
3-methyl-2-{4-[(4-nitrophenyl)carbonyl]piperazin-1-yl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STL351368
SMILES O=C(c1ccc(cc1)[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)18-16-4-2-3-5-17(16)32-19(18)23-22(24)26-12-10-25(11-13-26)20(28)14-6-8-15(9-7-14)27(30)31/h6-9H,2-5,10-13H2,1H3InChIKey
JJABDVDICCQNCA-UHFFFAOYSA-NSynonyms
1010918-44-11010918441
3methyl2(4((4nitrophenyl)carbonyl)piperazin1yl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3methyl2(4(4nitrobenzoyl)piperazin1yl)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
3methyl2(4(4nitrobenzoyl)piperazin1yl)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
CN1C(=O)C2=C(N=C1N3CCN(CC3)C(=O)C4=CC=C(C=C4)(N+)(=O)(O))SC5=C2CCCC5
InChI=1SC22H23N5O4Sc12421(29)1816423517(16)3219(18)2322(24)26121025(111326)20(28)146815(9714)27(30)31h69H251013H21H3
MFCD12204237
O=C(c1ccc(cc1)(N+)(=O)(O))N1CCN(CC1)c1nc2sc3c(c2c(=O)n1C)CCCC3
ZINC000012408625
ZINC12408625
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