Vitas-M small molecule compound

5-(4-methoxyphenyl)-1,3-dimethyl-6-[2-(methylamino)-5-nitrophenyl]-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione

Catalog ID
STK792646
SMILES COc1ccc(cc1)c1n(cc2c1c(=O)n(C)c(=O)n2C)c1cc(ccc1NC)[N+](=O)[O-]

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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 C22H21N5O5 MW 435.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O5/c1-23-16-10-7-14(27(30)31)11-17(16)26-12-18-19(21(28)25(3)22(29)24(18)2)20(26)13-5-8-15(32-4)9-6-13/h5-12,23H,1-4H3
InChIKey
LPZRVAWODKMVIP-UHFFFAOYSA-N
Synonyms
681854-24-0
5(4methoxyphenyl)13dimethyl6(2(methylamino)5nitrophenyl)1Hpyrrolo(34d)pyrimidine24(3H6H)dione
5(4METHOXYPHENYL)13DIMETHYL6(2(METHYLAMINO)5NITROPHENYL)PYRROLO(34D)PYRIMIDINE24DIONE
681854240
CNC1=C(C=C(C=C1)(N+)(=O)(O))N2C=C3C(=C2C4=CC=C(C=C4)OC)C(=O)N(C(=O)N3C)C
COc1ccc(cc1)c1n(cc2c1c(=O)n(C)c(=O)n2C)c1cc(ccc1NC)(N+)(=O)(O)
InChI=1SC22H21N5O5c1231610714(27(30)31)1117(16)26121819(21(28)25(3)22(29)24(18)2)20(26)135815(324)9613h51223H14H3
MFCD03663201
ZINC000008659832
ZINC08659832
ZINC8659832

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Available files

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