Vitas-M small molecule compound
{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methanone
Catalog ID
STL402942
SMILES O=C(c1cccc(c1)Cn1nc(c(c1)Br)[N+](=O)[O-])N1CCN2C(C1)CCC2
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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 C18H20BrN5O3 MW 434.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20BrN5O3/c19-16-12-23(20-17(16)24(26)27)10-13-3-1-4-14(9-13)18(25)22-8-7-21-6-2-5-15(21)11-22/h1,3-4,9,12,15H,2,5-8,10-11H2InChIKey
KGLCMGOKOOPRCV-UHFFFAOYSA-NSynonyms
1005599-16-5(3((4bromo3nitro1Hpyrazol1yl)methyl)phenyl)(hexahydropyrrolo(12a)pyrazin2(1H)yl)methanone
1005599165
346788ahexahydro1Hpyrrolo(12a)pyrazin2yl(3((4bromo3nitropyrazol1yl)methyl)phenyl)methanone
C1CC2CN(CCN2C1)C(=O)C3=CC(=CC=C3)CN4C=C(C(=N4)(N+)(=O)(O))Br
InChI=1SC18H20BrN5O3c19161223(2017(16)24(26)27)101331414(913)18(25)22872162515(21)1122h13491215H2581011H2
MFCD04051600
O=C(c1cccc(c1)Cn1nc(c(c1)Br)(N+)(=O)(O))N1CCN2C(C1)CCC2
ZINC000002767887
ZINC000002767888
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