Vitas-M small molecule compound

4-{6-[(2-hydroxyethyl)amino]-5-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl}-N-(3-methylphenyl)benzenesulfonamide

Catalog ID
STL294718
SMILES OCCNc1c2cccc3c2c(cc1[N+](=O)[O-])c(=O)n(c3=O)c1ccc(cc1)S(=O)(=O)Nc1cccc(c1)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 C27H22N4O7S MW 546.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N4O7S/c1-16-4-2-5-17(14-16)29-39(37,38)19-10-8-18(9-11-19)30-26(33)21-7-3-6-20-24(21)22(27(30)34)15-23(31(35)36)25(20)28-12-13-32/h2-11,14-15,28-29,32H,12-13H2,1H3
InChIKey
GNXJLWOKHRBTLH-UHFFFAOYSA-N
Synonyms

4(6((2hydroxyethyl)amino)5nitro13dioxo1Hbenzo(de)isoquinolin2(3H)yl)N(3methylphenyl)benzenesulfonamide
4(6(2hydroxyethylamino)5nitro13dioxobenzo(de)isoquinolin2yl)N(3methylphenyl)benzenesulfonamide
CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC5=C4C(=CC(=C5NCCO)(N+)(=O)(O))C3=O
InChI=1SC27H22N4O7Sc11642517(1416)2939(3738)1910818(91119)3026(33)217362024(21)22(27(30)34)1523(31(35)36)25(20)28121332h2111415282932H1213H21H3
MFCD28032764
OCCNc1c2cccc3c2c(cc1(N+)(=O)(O))c(=O)n(c3=O)c1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C
ZINC000101148901
ZINC101148901

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Available files

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