Vitas-M small molecule compound

(4E)-4-[(4-ethoxyphenyl)(hydroxy)methylidene]-5-(2-fluorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione

Catalog ID
STL147783
SMILES CCOc1ccc(cc1)/C(=C\1/C(c2ccccc2F)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)C)/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 C27H21FN2O4S MW 488.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21FN2O4S/c1-3-34-17-11-9-16(10-12-17)24(31)22-23(18-6-4-5-7-19(18)28)30(26(33)25(22)32)27-29-20-13-8-15(2)14-21(20)35-27/h4-14,23,31H,3H2,1-2H3/b24-22+
InChIKey
RDALMZYRUGVJSD-ZNTNEXAZSA-N
Synonyms
514189-65-2
(4E)4((4ethoxyphenyl)(hydroxy)methylidene)5(2fluorophenyl)1(6methyl13benzothiazol2yl)pyrrolidine23dione
(4E)4((4ETHOXYPHENYL)HYDROXYMETHYLIDENE)5(2FLUOROPHENYL)1(6METHYL13BENZOTHIAZOL2YL)PYRROLIDINE23DIONE
4((4ETHOXYPHENYL)CARBONYL)5(2FLUOROPHENYL)3HYDROXY1(6METHYLBENZOTHIAZOL2YL)3PYRROLIN2ONE
514189652
CCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=C(S3)C=C(C=C4)C)C5=CC=CC=C5F)O
CCOc1ccc(cc1)C(=C1C(c2ccccc2F)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)C)O
InChI=1SC27H21FN2O4Sc13341711916(101217)24(31)2223(18645719(18)28)30(26(33)25(22)32)27292013815(2)1421(20)3527h4142331H3H212H3b2422+
MFCD03804635
ZINC000102924963
ZINC000102924965

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Available files

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