Vitas-M small molecule compound
2-{[1,2-dihydroacenaphthylen-5-yl(1,1-dioxido-1,2-benzothiazol-3-yl)amino]methyl}phenyl 3,4-dichlorobenzoate
Catalog ID
STK139113
SMILES O=C(c1ccc(c(c1)Cl)Cl)Oc1ccccc1CN(C1=NS(=O)(=O)c2c1cccc2)c1ccc2c3c1cccc3CC2
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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 C33H22Cl2N2O4S MW 613.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H22Cl2N2O4S/c34-26-16-14-22(18-27(26)35)33(38)41-29-10-3-1-6-23(29)19-37(32-25-8-2-4-11-30(25)42(39,40)36-32)28-17-15-21-13-12-20-7-5-9-24(28)31(20)21/h1-11,14-18H,12-13,19H2InChIKey
KAXIGLAEPUZHGC-UHFFFAOYSA-NSynonyms
(2((12DIHYDROACENAPHTHYLEN5YL(11DIOXO12BENZOTHIAZOL3YL)AMINO)METHYL)PHENYL)34DICHLOROBENZOATE
2((12DIHYDROACENAPHTHYLEN5YL(11DIOXIDO12BENZISOTHIAZOL3YL)AMINO)METHYL)PHENYL34DICHLOROBENZOATE
2((12DIHYDROACENAPHTHYLEN5YL(11DIOXIDO12BENZOTHIAZOL3YL)AMINO)METHYL)PHENYL34DICHLOROBENZOATE
C1CC2=CC=CC3=C(C=CC1=C23)N(CC4=CC=CC=C4OC(=O)C5=CC(=C(C=C5)Cl)Cl)C6=NS(=O)(=O)C7=CC=CC=C76
InChI=1SC33H22Cl2N2O4Sc3426161422(1827(26)35)33(38)41291031623(29)1937(32258241130(25)42(3940)3632)2817152113122075924(28)31(20)21h1111418H121319H2
MFCD03697962
ZINC000008451349
ZINC08451349
ZINC8451349
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