Vitas-M small molecule compound
6-amino-2-(3-hydroxypropyl)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-5,8-disulfonic acid
Catalog ID
STL295537
SMILES OCCCn1c(=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 C15H14N2O9S2 MW 430.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H14N2O9S2/c16-13-8-4-7(27(21,22)23)5-9-12(8)10(6-11(13)28(24,25)26)15(20)17(14(9)19)2-1-3-18/h4-6,18H,1-3,16H2,(H,21,22,23)(H,24,25,26)InChIKey
PLAZFDVJHDUAEB-UHFFFAOYSA-NSynonyms
6amino2(3hydroxypropyl)13dioxo23dihydro1Hbenzo(de)isoquinoline58disulfonicacid
6amino2(3hydroxypropyl)13dioxobenzo(de)isoquinoline58disulfonicacid
C1=C(C=C2C3=C1C(=O)N(C(=O)C3=CC(=C2N)S(=O)(=O)O)CCCO)S(=O)(=O)O
InChI=1SC15H14N2O9S2c1613847(27(2122)23)5912(8)10(611(13)28(2425)26)15(20)17(14(9)19)21318h4618H1316H2(H212223)(H242526)
MFCD00660801
ZINC000095471048
ZINC95471048
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