Vitas-M small molecule compound
(5-chloro-2-nitrophenyl)(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)methanone
Catalog ID
STK316905
SMILES CN1CCC2C(C1)c1cc(C)ccc1N2C(=O)c1cc(Cl)ccc1[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 C20H20ClN3O3 MW 385.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClN3O3/c1-12-3-5-17-14(9-12)16-11-22(2)8-7-18(16)23(17)20(25)15-10-13(21)4-6-19(15)24(26)27/h3-6,9-10,16,18H,7-8,11H2,1-2H3InChIKey
JRURHCRZVMHPIS-UHFFFAOYSA-NSynonyms
515151-66-3(5chloro2nitrophenyl)(28dimethyl12344a9bhexahydro5Hpyrido(43b)indol5yl)methanone
(5CHLORO2NITROPHENYL)(28DIMETHYL344A9BTETRAHYDRO1HPYRIDO(43B)INDOL5YL)METHANONE
515151663
CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)C(=O)C4=C(C=CC(=C4)Cl)(N+)(=O)(O)
CN1CCC2C(C1)c1cc(C)ccc1N2C(=O)c1cc(Cl)ccc1(N+)(=O)(O)
InChI=1SC20H20ClN3O3c112351714(912)161122(2)8718(16)23(17)20(25)151013(21)4619(15)24(26)27h369101618H7811H212H3
MFCD02607781
ZINC000001002542
ZINC000012649368
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