Vitas-M small molecule compound

6-benzyl-1-methyl-4-(3-nitrophenyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione

Catalog ID
STK785109
SMILES O=C1NC(c2cccc(c2)[N+](=O)[O-])C2=C(N1C)CN(C2=O)Cc1ccccc1

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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 C20H18N4O4 MW 378.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O4/c1-22-16-12-23(11-13-6-3-2-4-7-13)19(25)17(16)18(21-20(22)26)14-8-5-9-15(10-14)24(27)28/h2-10,18H,11-12H2,1H3,(H,21,26)
InChIKey
CVKHKNUHEUXHPC-UHFFFAOYSA-N
Synonyms

6benzyl1methyl4(3nitrophenyl)3467tetrahydro1Hpyrrolo(34d)pyrimidine25dione
6BENZYL1METHYL4(3NITROPHENYL)47DIHYDRO3HPYRROLO(34D)PYRIMIDINE25DIONE
CN1C2=C(C(NC1=O)C3=CC(=CC=C3)(N+)(=O)(O))C(=O)N(C2)CC4=CC=CC=C4
InChI=1SC20H18N4O4c122161223(11136324713)19(25)17(16)18(2120(22)26)1485915(1014)24(27)28h21018H1112H21H3(H2126)
MFCD07657805
O=C1NC(c2cccc(c2)(N+)(=O)(O))C2=C(N1C)CN(C2=O)Cc1ccccc1
ZINC000004776451
ZINC000004776452

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Available files

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