Vitas-M small molecule compound
2-(2-hydroxyethyl)-6-(4-methyl-2-nitrophenoxy)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL295327
SMILES OCCn1c(=O)c2ccc(c3c2c(c1=O)ccc3)Oc1ccc(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 C21H16N2O6 MW 392.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N2O6/c1-12-5-7-18(16(11-12)23(27)28)29-17-8-6-15-19-13(17)3-2-4-14(19)20(25)22(9-10-24)21(15)26/h2-8,11,24H,9-10H2,1H3InChIKey
UWLTXCKUXSKUIM-UHFFFAOYSA-NSynonyms
2(2hydroxyethyl)6(4methyl2nitrophenoxy)1Hbenzo(de)isoquinoline13(2H)dione
2(2HYDROXYETHYL)6(4METHYL2NITROPHENOXY)BENZO(DE)ISOQUINOLINE13DIONE
CC1=CC(=C(C=C1)OC2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCO)(N+)(=O)(O)
InChI=1SC21H16N2O6c1125718(16(1112)23(27)28)291786151913(17)32414(19)20(25)22(91024)21(15)26h281124H910H21H3
MFCD00842112
OCCn1c(=O)c2ccc(c3c2c(c1=O)ccc3)Oc1ccc(cc1(N+)(=O)(O))C
ZINC000005380032
ZINC05380032
ZINC5380032
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