Vitas-M small molecule compound
3-[2-(4-nitrophenyl)-2-oxoethyl]-4-oxo-4,6,7,8,9,10-hexahydro-3H-pyrimido[4',5':4,5]pyrrolo[1,2-a]azepine-11-carbonitrile
Catalog ID
STL322143
SMILES N#Cc1c2ncn(c(=O)c2n2c1CCCCC2)CC(=O)c1ccc(cc1)[N+](=O)[O-]
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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 C20H17N5O4 MW 391.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N5O4/c21-10-15-16-4-2-1-3-9-24(16)19-18(15)22-12-23(20(19)27)11-17(26)13-5-7-14(8-6-13)25(28)29/h5-8,12H,1-4,9,11H2InChIKey
YOOIFLXTTRDOHN-UHFFFAOYSA-NSynonyms
304872-67-13(2(4nitrophenyl)2oxoethyl)4oxo4678910hexahydro3Hpyrimido(4545)pyrrolo(12a)azepine11carbonitrile
3(2(4nitrophenyl)2oxoethyl)4oxo78910tetrahydro6Hpyrimido(34)pyrrolo(35a)azepine11carbonitrile
304872671
C1CCC2=C(C3=C(N2CC1)C(=O)N(C=N3)CC(=O)C4=CC=C(C=C4)(N+)(=O)(O))C#N
InChI=1SC20H17N5O4c211015164213924(16)1918(15)221223(20(19)27)1117(26)135714(8613)25(28)29h5812H14911H2
MFCD01553209
N#Cc1c2ncn(c(=O)c2n2c1CCCCC2)CC(=O)c1ccc(cc1)(N+)(=O)(O)
ZINC000002227505
ZINC02227505
ZINC2227505
Check stock
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