Vitas-M small molecule compound
4-{[({[8-(trifluoromethyl)[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl}acetyl)amino]methyl}benzoic acid
Catalog ID
STK922220
SMILES O=C(NCc1ccc(cc1)C(=O)O)CSc1nc2cc3OCOc3cc2c(c1)C(F)(F)F
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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 C21H15F3N2O5S MW 464.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15F3N2O5S/c22-21(23,24)14-6-19(26-15-7-17-16(5-13(14)15)30-10-31-17)32-9-18(27)25-8-11-1-3-12(4-2-11)20(28)29/h1-7H,8-10H2,(H,25,27)(H,28,29)InChIKey
MNYKYTXOSKVBMW-UHFFFAOYSA-NSynonyms
4(((((8(trifluoromethyl)(13)dioxolo(45g)quinolin6yl)sulfanyl)acetyl)amino)methyl)benzoicacid
4(((2((8(trifluoromethyl)(13)dioxolo(45g)quinolin6yl)sulfanyl)acetyl)amino)methyl)benzoicacid
4((2(8(TRIFLUOROMETHYL)2H13DIOXOLENO(45G)QUINOLIN6YLTHIO)ACETYLAMINO)METHYL)BENZOICACID
C1OC2=C(O1)C=C3C(=C2)C(=CC(=N3)SCC(=O)NCC4=CC=C(C=C4)C(=O)O)C(F)(F)F
InChI=1SC21H15F3N2O5Sc2221(2324)14619(261571716(513(14)15)30103117)32918(27)258111312(4211)20(28)29h17H810H2(H2527)(H2829)
MFCD07545360
ZINC000012139473
ZINC12139473
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