Vitas-M small molecule compound
(4aR,8aS)-1,4,6-trimethyl-5-(4-nitrophenyl)hexahydropyrimido[4,5-d]pyrimidine-2,7(1H,3H)-dione
Catalog ID
STK764012
SMILES CC1NC(=O)N([C@H]2[C@H]1C(c1ccc(cc1)[N+](=O)[O-])N(C)C(=O)N2)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 C15H19N5O4 MW 333.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H19N5O4/c1-8-11-12(9-4-6-10(7-5-9)20(23)24)18(2)15(22)17-13(11)19(3)14(21)16-8/h4-8,11-13H,1-3H3,(H,16,21)(H,17,22)/t8?,11-,12?,13+/m1/s1InChIKey
ZCWQWKGQGKOVJR-FPRXEPEVSA-NSynonyms
(4aR8aS)146trimethyl5(4nitrophenyl)hexahydropyrimido(45d)pyrimidine27(1H3H)dione
(4AR8AS)358TRIMETHYL4(4NITROPHENYL)144A568AHEXAHYDROPYRIMIDO(45D)PYRIMIDINE27DIONE
(4aS8aS)146trimethyl5(4nitrophenyl)hexahydropyrimido(45d)pyrimidine27(1H3H)dione
CC1C2C(N(C(=O)NC2N(C(=O)N1)C)C)C3=CC=C(C=C3)(N+)(=O)(O)
CC1NC(=O)N((C@H)2(C@@H)1C(c1ccc(cc1)(N+)(=O)(O))N(C)C(=O)N2)C
CC1NC(=O)N((C@H)2(C@H)1C(c1ccc(cc1)(N+)(=O)(O))N(C)C(=O)N2)C
InChI=1SC15H19N5O4c181112(94610(759)20(23)24)18(2)15(22)1713(11)19(3)14(21)168h481113H13H3(H1621)(H1722)t8?1112?13+m1s1
MFCD13372124
ZINC000001439280
ZINC000016993695
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