Vitas-M small molecule compound
3a-methyl-2-(3-nitrophenyl)-9-phenyltetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione
Catalog ID
STK825788
SMILES O=C1N(c2cccc(c2)[N+](=O)[O-])C(=O)C2(C1C(c1ccccc1)N1N2CCC1)C
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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 C21H20N4O4 MW 392.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O4/c1-21-17(18(14-7-3-2-4-8-14)22-11-6-12-23(21)22)19(26)24(20(21)27)15-9-5-10-16(13-15)25(28)29/h2-5,7-10,13,17-18H,6,11-12H2,1H3InChIKey
HWDLCTYLUFEHHW-UHFFFAOYSA-NSynonyms
495384-36-62(3NITROPHENYL)3AMETHYL9PHENYLTETRAHYDRO5HPYRAZOLO(12A)PYRROLO(34C)PYRAZOLE13(2H3AH)DIONE
3amethyl2(3nitrophenyl)9phenylhexahydro1Hpyrazolo(12a)pyrrolo(34c)pyrazole13(2H)dione
3amethyl2(3nitrophenyl)9phenyltetrahydro5Hpyrazolo(12a)pyrrolo(34c)pyrazole13(2H3aH)dione
495384366
CC12C(C(N3N1CCC3)C4=CC=CC=C4)C(=O)N(C2=O)C5=CC(=CC=C5)(N+)(=O)(O)
InChI=1SC21H20N4O4c12117(18(147324814)221161223(21)22)19(26)24(20(21)27)15951016(1315)25(28)29h25710131718H61112H21H3
MFCD02954968
O=C1N(c2cccc(c2)(N+)(=O)(O))C(=O)C2(C1C(c1ccccc1)N1N2CCC1)C
ZINC000019169148
ZINC000019172382
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