Vitas-M small molecule compound
5-(2-bromo-5-nitrophenyl)-6-butyl-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Catalog ID
STK617311
SMILES CCCCn1cc2c(c1c1cc(ccc1Br)[N+](=O)[O-])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 C18H19BrN4O4 MW 435.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19BrN4O4/c1-4-5-8-22-10-14-15(17(24)21(3)18(25)20(14)2)16(22)12-9-11(23(26)27)6-7-13(12)19/h6-7,9-10H,4-5,8H2,1-3H3InChIKey
LCAPLDVXOTUNHJ-UHFFFAOYSA-NSynonyms
895828-83-85(2bromo5nitrophenyl)6butyl13dimethyl1Hpyrrolo(34d)pyrimidine24(3H6H)dione
5(2BROMO5NITROPHENYL)6BUTYL13DIMETHYLPYRROLO(34D)PYRIMIDINE24DIONE
895828838
CCCCN1C=C2C(=C1C3=C(C=CC(=C3)(N+)(=O)(O))Br)C(=O)N(C(=O)N2C)C
CCCCn1cc2c(c1c1cc(ccc1Br)(N+)(=O)(O))c(=O)n(c(=O)n2C)C
InChI=1SC18H19BrN4O4c145822101415(17(24)21(3)18(25)20(14)2)16(22)12911(23(26)27)6713(12)19h67910H458H213H3
MFCD06786304
ZINC000008739814
ZINC08739814
ZINC8739814
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