Vitas-M small molecule compound
2-{[1,2-dihydroacenaphthylen-5-yl(1,1-dioxido-1,2-benzothiazol-3-yl)amino]methyl}phenyl 4-fluorobenzoate
Catalog ID
STK180727
SMILES Fc1ccc(cc1)C(=O)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 C33H23FN2O4S MW 562.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H23FN2O4S/c34-25-17-14-23(15-18-25)33(37)40-29-10-3-1-6-24(29)20-36(32-27-8-2-4-11-30(27)41(38,39)35-32)28-19-16-22-13-12-21-7-5-9-26(28)31(21)22/h1-11,14-19H,12-13,20H2InChIKey
WPAPDAZBQWQDQU-UHFFFAOYSA-NSynonyms
(2((12DIHYDROACENAPHTHYLEN5YL(11DIOXO12BENZOTHIAZOL3YL)AMINO)METHYL)PHENYL)4FLUOROBENZOATE
2((12DIHYDRO5ACENAPHTHYLENYL(11DIOXIDO12BENZISOTHIAZOL3YL)AMINO)METHYL)PHENYL4FLUOROBENZOATE
2((12DIHYDROACENAPHTHYLEN5YL(11DIOXIDO12BENZOTHIAZOL3YL)AMINO)METHYL)PHENYL4FLUOROBENZOATE
C1CC2=CC=CC3=C(C=CC1=C23)N(CC4=CC=CC=C4OC(=O)C5=CC=C(C=C5)F)C6=NS(=O)(=O)C7=CC=CC=C76
InChI=1SC33H23FN2O4Sc3425171423(151825)33(37)40291031624(29)2036(32278241130(27)41(3839)3532)2819162213122175926(28)31(21)22h1111419H121320H2
MFCD03865387
ZINC000002170811
ZINC02170811
ZINC2170811
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