Vitas-M small molecule compound
5-fluoro-3''-(4-methoxybenzyl)-1,1'-dimethyl-4'-(pyridin-3-yl)-2''-thioxo-4''H-dispiro[indole-3,2'-pyrrolidine-3',5''-[1,3]thiazolidine]-2,4''(1H)-dione
Catalog ID
STL058365
SMILES COc1ccc(cc1)CN1C(=S)SC2(C1=O)C(CN(C12c2cc(F)ccc2N(C1=O)C)C)c1cccnc1
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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 C28H25FN4O3S2 MW 548.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25FN4O3S2/c1-31-16-22(18-5-4-12-30-14-18)28(27(31)21-13-19(29)8-11-23(21)32(2)24(27)34)25(35)33(26(37)38-28)15-17-6-9-20(36-3)10-7-17/h4-14,22H,15-16H2,1-3H3InChIKey
XHTUBOCAXFEDEN-UHFFFAOYSA-NSynonyms
(3R3R)5fluoro4((4methoxyphenyl)methyl)11dimethyl4(pyridin3yl)5sulfanylidene12dihydrodispiro(indole32pyrrolidine32(14)thiazolidine)23dione
5fluoro3(4methoxybenzyl)11dimethyl4(pyridin3yl)2thioxo4Hdispiro(indole32pyrrolidine35(13)thiazolidine)24(1H)dione
CN1CC(C2(C13C4=C(C=CC(=C4)F)N(C3=O)C)C(=O)N(C(=S)S2)CC5=CC=C(C=C5)OC)C6=CN=CC=C6
COc1ccc(cc1)CN1C(=S)S(C@)2(C1=O)C(CN((C@)12c2cc(F)ccc2N(C1=O)C)C)c1cccnc1
InChI=1SC28H25FN4O3S2c1311622(185412301418)28(27(31)211319(29)81123(21)32(2)24(27)34)25(35)33(26(37)3828)15176920(363)10717h41422H1516H213H3
MFCD07641946
ZINC000106021816
ZINC000227250342
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