Vitas-M small molecule compound
N-{3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1,4-dioxo-1,4-dihydronaphthalen-2-yl}-4-bromobenzenesulfonamide
Catalog ID
STL410267
SMILES Brc1ccc(cc1)S(=O)(=O)NC1=C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)C(=O)c2c(C1=O)cccc2
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C28H24BrN3O6S MW 610.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24BrN3O6S/c29-19-6-8-20(9-7-19)39(35,36)30-25-26(28(34)22-4-2-1-3-21(22)27(25)33)32-13-11-31(12-14-32)16-18-5-10-23-24(15-18)38-17-37-23/h1-10,15,30H,11-14,16-17H2InChIKey
QVXWVTQJFLZBNS-UHFFFAOYSA-NSynonyms
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=O)C5=CC=CC=C5C4=O)NS(=O)(=O)C6=CC=C(C=C6)Br
InChI=1SC28H24BrN3O6Sc29196820(9719)39(3536)302526(28(34)22421321(22)27(25)33)32131131(121432)16185102324(1518)38173723h1101530H11141617H2
MFCD04082193
N(3(4(13benzodioxol5ylmethyl)piperazin1yl)14dioxo14dihydronaphthalen2yl)4bromobenzenesulfonamide
N(3(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)14DIOXONAPHTHALEN2YL)4BROMOBENZENESULFONAMIDE
N(3(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)14dioxo14dihydronaphthalen2yl)4bromobenzenesulfonamide
ZINC000101082080
ZINC101082080
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