Vitas-M small molecule compound
4-(5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N,N-bis(2-hydroxyethyl)benzenesulfonamide
Catalog ID
STL295143
SMILES OCCN(S(=O)(=O)c1ccc(cc1)n1c(=O)c2cc(cc3c2c(c1=O)cc(c3)[N+](=O)[O-])[N+](=O)[O-])CCO
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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 C22H18N4O10S MW 530.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O10S/c27-7-5-23(6-8-28)37(35,36)17-3-1-14(2-4-17)24-21(29)18-11-15(25(31)32)9-13-10-16(26(33)34)12-19(20(13)18)22(24)30/h1-4,9-12,27-28H,5-8H2InChIKey
XXWBCAPUDVHGJP-UHFFFAOYSA-NSynonyms
4(58dinitro13dioxo1Hbenzo(de)isoquinolin2(3H)yl)NNbis(2hydroxyethyl)benzenesulfonamide
4(58dinitro13dioxobenzo(de)isoquinolin2yl)NNbis(2hydroxyethyl)benzenesulfonamide
C1=CC(=CC=C1N2C(=O)C3=CC(=CC4=CC(=CC(=C43)C2=O)(N+)(=O)(O))(N+)(=O)(O))S(=O)(=O)N(CCO)CCO
InChI=1SC22H18N4O10Sc277523(6828)37(3536)173114(2417)2421(29)181115(25(31)32)9131016(26(33)34)1219(20(13)18)22(24)30h149122728H58H2
MFCD00697430
OCCN(S(=O)(=O)c1ccc(cc1)n1c(=O)c2cc(cc3c2c(c1=O)cc(c3)(N+)(=O)(O))(N+)(=O)(O))CCO
ZINC000101141698
ZINC101141698
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