Vitas-M small molecule compound

5-(2-bromo-5-nitrophenyl)-6-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione

Catalog ID
STK601280
SMILES OCC(n1cc2c(c1c1cc(ccc1Br)[N+](=O)[O-])c(=O)n(c(=O)n2C)C)(CO)CO

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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 C18H19BrN4O7 MW 483.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19BrN4O7/c1-20-13-6-22(18(7-24,8-25)9-26)15(14(13)16(27)21(2)17(20)28)11-5-10(23(29)30)3-4-12(11)19/h3-6,24-26H,7-9H2,1-2H3
InChIKey
JCQYUOCYDQEESF-UHFFFAOYSA-N
Synonyms
902331-83-3
5(2bromo5nitrophenyl)6(13dihydroxy2(hydroxymethyl)propan2yl)13dimethyl1Hpyrrolo(34d)pyrimidine24(3H6H)dione
5(2BROMO5NITROPHENYL)6(13DIHYDROXY2(HYDROXYMETHYL)PROPAN2YL)13DIMETHYLPYRROLO(34D)PYRIMIDINE24DIONE
902331833
CN1C2=CN(C(=C2C(=O)N(C1=O)C)C3=C(C=CC(=C3)(N+)(=O)(O))Br)C(CO)(CO)CO
InChI=1SC18H19BrN4O7c12013622(18(724825)926)15(14(13)16(27)21(2)17(20)28)11510(23(29)30)3412(11)19h362426H79H212H3
MFCD06789956
OCC(n1cc2c(c1c1cc(ccc1Br)(N+)(=O)(O))c(=O)n(c(=O)n2C)C)(CO)CO
ZINC000009348509
ZINC09348509
ZINC9348509

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Available files

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