Vitas-M small molecule compound
(1S,5S)-3-{[1-(2H-indazol-3-yl)-5-oxopyrrolidin-3-yl]carbonyl}-9-nitro-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL553487
SMILES O=C(C1CC(=O)N(C1)c1[nH]nc2c1cccc2)N1C[C@H]2CC(C1)c1n(C2)c(=O)c(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 C23H22N6O5 MW 462.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N6O5/c30-20-8-15(12-28(20)21-16-3-1-2-4-17(16)24-25-21)22(31)26-9-13-7-14(11-26)18-5-6-19(29(33)34)23(32)27(18)10-13/h1-6,13-15H,7-12H2,(H,24,25)/t13-,14?,15?/m0/s1InChIKey
BLOPWXGAZXJJSN-NFOMZHRRSA-NSynonyms
(1R5S)3(1(1Hindazol3yl)5oxopyrrolidine3carbonyl)9nitro3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5S)3((1(2Hindazol3yl)5oxopyrrolidin3yl)carbonyl)9nitro123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
(9~(S))11(1(1~(H)indazol3yl)5oxopyrrolidine3carbonyl)5nitro711diazatricyclo(7310^(27))trideca24dien6one
129895871
InChI=1SC23H22N6O5c3020815(1228(20)2116312417(16)242521)22(31)26913714(1126)185619(29(33)34)23(32)27(18)1013h161315H712H2(H2425)t1314?15?m0s1
O=C(C1CC(=O)N(C1)c1n(nH)c2c1cccc2)N1C(C@@H)2CC(C1)c1n(C2)c(=O)c(cc1)(N+)(=O)(O)
ZINC000524731551
ZINC000524731552
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