Vitas-M small molecule compound
(4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-phenylpyrrolidine-2,3-dione
Catalog ID
STL041264
SMILES CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)c1nc2c(s1)cc(cc2)F)/O
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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 C27H19FN2O4S MW 486.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19FN2O4S/c1-14-11-17-12-16(7-10-20(17)34-14)24(31)22-23(15-5-3-2-4-6-15)30(26(33)25(22)32)27-29-19-9-8-18(28)13-21(19)35-27/h2-10,12-14,23,31H,11H2,1H3/b24-22+InChIKey
UADQZKWQXMXLLK-ZNTNEXAZSA-NSynonyms
877791-70-3(4E)1(6fluoro13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)5phenylpyrrolidine23dione
877791703
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(S4)C=C(C=C5)F)C6=CC=CC=C6)O
CC1Oc2c(C1)cc(cc2)C(=C1C(=O)C(=O)N(C1c1ccccc1)c1nc2c(s1)cc(cc2)F)O
InChI=1SC27H19FN2O4Sc11411171216(71020(17)3414)24(31)2223(155324615)30(26(33)25(22)32)2729199818(28)1321(19)3527h21012142331H11H21H3b2422+
MFCD05728030
ZINC000102771412
ZINC000102771419
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