Vitas-M small molecule compound
{1-[(2-chloro-4-nitrophenoxy)methyl]-1H-pyrazol-3-yl}(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methanone
Catalog ID
STK308917
SMILES O=C(c1ccn(n1)COc1ccc(cc1Cl)[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 C18H20ClN5O4 MW 405.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20ClN5O4/c19-15-10-13(24(26)27)3-4-17(15)28-12-23-7-5-16(20-23)18(25)22-9-8-21-6-1-2-14(21)11-22/h3-5,7,10,14H,1-2,6,8-9,11-12H2InChIKey
ZRBWGSFWOMJACR-UHFFFAOYSA-NSynonyms
1005588-58-8(1((2chloro4nitrophenoxy)methyl)1Hpyrazol3yl)(hexahydropyrrolo(12a)pyrazin2(1H)yl)methanone
1005588588
346788ahexahydro1Hpyrrolo(12a)pyrazin2yl(1((2chloro4nitrophenoxy)methyl)pyrazol3yl)methanone
C1CC2CN(CCN2C1)C(=O)C3=NN(C=C3)COC4=C(C=C(C=C4)(N+)(=O)(O))Cl
InChI=1SC18H20ClN5O4c19151013(24(26)27)3417(15)2812237516(2023)18(25)22982161214(21)1122h3571014H126891112H2
MFCD04132942
O=C(c1ccn(n1)COc1ccc(cc1Cl)(N+)(=O)(O))N1CCN2C(C1)CCC2
ZINC000002798650
ZINC000002798651
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