Vitas-M small molecule compound

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

Catalog ID
STK572721
SMILES Oc1ccccc1n1cc2c(c1c1ccc(c(c1)[N+](=O)[O-])C)c(=O)n(c(=O)n2C)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 C21H18N4O5 MW 406.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O5/c1-12-8-9-13(10-15(12)25(29)30)19-18-16(22(2)21(28)23(3)20(18)27)11-24(19)14-6-4-5-7-17(14)26/h4-11,26H,1-3H3
InChIKey
VRRKHCCQSQBGMB-UHFFFAOYSA-N
Synonyms
895842-58-7
6(2hydroxyphenyl)13dimethyl5(4methyl3nitrophenyl)1Hpyrrolo(34d)pyrimidine24(3H6H)dione
6(2HYDROXYPHENYL)13DIMETHYL5(4METHYL3NITROPHENYL)PYRROLO(34D)PYRIMIDINE24DIONE
895842587
CC1=C(C=C(C=C1)C2=C3C(=CN2C4=CC=CC=C4O)N(C(=O)N(C3=O)C)C)(N+)(=O)(O)
InChI=1SC21H18N4O5c1128913(1015(12)25(29)30)191816(22(2)21(28)23(3)20(18)27)1124(19)14645717(14)26h41126H13H3
MFCD06793540
Oc1ccccc1n1cc2c(c1c1ccc(c(c1)(N+)(=O)(O))C)c(=O)n(c(=O)n2C)C
ZINC000005350489
ZINC05350489
ZINC5350489

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Available files

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