Vitas-M small molecule compound
6-(1,1-dioxidotetrahydrothiophen-3-yl)-1-methyl-4-(3-nitrophenyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Catalog ID
STK785107
SMILES O=C1NC(c2cccc(c2)[N+](=O)[O-])C2=C(N1C)CN(C2=O)C1CCS(=O)(=O)C1
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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 C17H18N4O6S MW 406.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N4O6S/c1-19-13-8-20(12-5-6-28(26,27)9-12)16(22)14(13)15(18-17(19)23)10-3-2-4-11(7-10)21(24)25/h2-4,7,12,15H,5-6,8-9H2,1H3,(H,18,23)InChIKey
IOYSJEXGDAABJA-UHFFFAOYSA-NSynonyms
6(11dioxidotetrahydrothiophen3yl)1methyl4(3nitrophenyl)3467tetrahydro1Hpyrrolo(34d)pyrimidine25dione
6(11DIOXOTHIOLAN3YL)1METHYL4(3NITROPHENYL)47DIHYDRO3HPYRROLO(34D)PYRIMIDINE25DIONE
CN1C2=C(C(NC1=O)C3=CC(=CC=C3)(N+)(=O)(O))C(=O)N(C2)C4CCS(=O)(=O)C4
InChI=1SC17H18N4O6Sc11913820(125628(2627)912)16(22)14(13)15(1817(19)23)1032411(710)21(24)25h2471215H5689H21H3(H1823)
MFCD07657802
O=C1NC(c2cccc(c2)(N+)(=O)(O))C2=C(N1C)CN(C2=O)C1CCS(=O)(=O)C1
ZINC000012416649
ZINC000012416654
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