Vitas-M small molecule compound
5-fluoro-5'-hydroxy-3'-(4-methoxyphenyl)-2-oxo-1-(prop-2-yn-1-yl)-1,2-dihydro-6'H-spiro[indole-3,7'-thieno[3,2-b]pyridine]-2'-carboxylic acid
Catalog ID
STK651221
SMILES C#CCN1c2ccc(cc2C2(C1=O)CC(=Nc1c2sc(c1c1ccc(cc1)OC)C(=O)O)O)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 C25H17FN2O5S MW 476.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17FN2O5S/c1-3-10-28-17-9-6-14(26)11-16(17)25(24(28)32)12-18(29)27-20-19(21(23(30)31)34-22(20)25)13-4-7-15(33-2)8-5-13/h1,4-9,11H,10,12H2,2H3,(H,27,29)(H,30,31)InChIKey
BHAHOUUNTWSVDP-UHFFFAOYSA-NSynonyms
1190287-18-31190287183
5fluoro3(4methoxyphenyl)25dioxo1prop2ynylspiro(46dihydrothieno(32b)pyridine73indole)2carboxylicacid
5fluoro5hydroxy3(4methoxyphenyl)2oxo1(prop2yn1yl)12dihydro6Hspiro(indole37thieno(32b)pyridine)2carboxylicacid
COC1=CC=C(C=C1)C2=C(SC3=C2NC(=O)CC34C5=C(C=CC(=C5)F)N(C4=O)CC#C)C(=O)O
InChI=1SC25H17FN2O5Sc131028179614(26)1116(17)25(24(28)32)1218(29)272019(21(23(30)31)3422(20)25)134715(332)8513h14911H1012H22H3(H2729)(H3031)
MFCD18165891
ZINC000036358071
ZINC000036358072
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