Vitas-M small molecule compound
1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl (5-methoxy-2-methyl-4-nitrophenyl)carbamate
Catalog ID
STK590570
SMILES COc1cc(NC(=O)OC2CCN3C2=Nc2ccccc2C3)c(cc1[N+](=O)[O-])C
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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 C20H20N4O5 MW 396.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O5/c1-12-9-16(24(26)27)18(28-2)10-15(12)22-20(25)29-17-7-8-23-11-13-5-3-4-6-14(13)21-19(17)23/h3-6,9-10,17H,7-8,11H2,1-2H3,(H,22,25)InChIKey
LWVXWGFPAUTRAF-UHFFFAOYSA-NSynonyms
879434-48-71239tetrahydropyrrolo(21b)quinazolin3yl(5methoxy2methyl4nitrophenyl)carbamate
1239tetrahydropyrrolo(21b)quinazolin3ylN(5methoxy2methyl4nitrophenyl)carbamate
879434487
CC1=CC(=C(C=C1NC(=O)OC2CCN3C2=NC4=CC=CC=C4C3)OC)(N+)(=O)(O)
COc1cc(NC(=O)OC2CCN3C2=Nc2ccccc2C3)c(cc1(N+)(=O)(O))C
InChI=1SC20H20N4O5c112916(24(26)27)18(282)1015(12)2220(25)291778231113534614(13)2119(17)23h3691017H7811H212H3(H2225)
MFCD06597734
ZINC000005388599
ZINC000005388612
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