Vitas-M small molecule compound
prop-2-en-1-yl 1,3,7-trimethyl-5-(4-nitrophenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate
Catalog ID
STK981466
SMILES C=CCOC(=O)C1=C(C)Nc2c(C1c1ccc(cc1)[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 C20H20N4O6 MW 412.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O6/c1-5-10-30-19(26)14-11(2)21-17-16(18(25)23(4)20(27)22(17)3)15(14)12-6-8-13(9-7-12)24(28)29/h5-9,15,21H,1,10H2,2-4H3InChIKey
DDFYWVDNCSECRR-UHFFFAOYSA-NSynonyms
622360-60-5622360605
C=CCOC(=O)C1=C(C)Nc2c(C1c1ccc(cc1)(N+)(=O)(O))c(=O)n(c(=O)n2C)C
CC1=C(C(C2=C(N1)N(C(=O)N(C2=O)C)C)C3=CC=C(C=C3)(N+)(=O)(O))C(=O)OCC=C
InChI=1SC20H20N4O6c15103019(26)1411(2)211716(18(25)23(4)20(27)22(17)3)15(14)126813(9712)24(28)29h591521H110H224H3
MFCD05884826
prop2en1yl137trimethyl5(4nitrophenyl)24dioxo123458hexahydropyrido(23d)pyrimidine6carboxylate
PROP2ENYL137TRIMETHYL5(4NITROPHENYL)24DIOXO58DIHYDROPYRIDO(23D)PYRIMIDINE6CARBOXYLATE
ZINC000004291662
ZINC000004291663
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