Vitas-M small molecule compound
2-[4-(acetylamino)phenyl]-6-amino-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-5,8-disulfonic acid
Catalog ID
STL295641
SMILES CC(=O)Nc1ccc(cc1)n1c(=O)c2cc(cc3c2c(c1=O)cc(c3N)S(=O)(=O)O)S(=O)(=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 C20H15N3O9S2 MW 505.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15N3O9S2/c1-9(24)22-10-2-4-11(5-3-10)23-19(25)14-7-12(33(27,28)29)6-13-17(14)15(20(23)26)8-16(18(13)21)34(30,31)32/h2-8H,21H2,1H3,(H,22,24)(H,27,28,29)(H,30,31,32)InChIKey
VWHVIWXYSKCZGP-UHFFFAOYSA-NSynonyms
2(4(acetylamino)phenyl)6amino13dioxo23dihydro1Hbenzo(de)isoquinoline58disulfonicacid
2(4acetamidophenyl)6amino13dioxobenzo(de)isoquinoline58disulfonicacid
CC(=O)NC1=CC=C(C=C1)N2C(=O)C3=CC(=C(C4=CC(=CC(=C43)C2=O)S(=O)(=O)O)N)S(=O)(=O)O
InChI=1SC20H15N3O9S2c19(24)22102411(5310)2319(25)14712(33(2728)29)61317(14)15(20(23)26)816(18(13)21)34(3031)32h28H21H21H3(H2224)(H272829)(H303132)
MFCD00660817
ZINC000095471060
ZINC95471060
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