Vitas-M small molecule compound

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

Catalog ID
STK570658
SMILES CCOc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)Cl)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)CC)/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 C28H23ClN2O4S MW 519.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23ClN2O4S/c1-3-16-5-14-21-22(15-16)36-28(30-21)31-24(17-6-10-19(29)11-7-17)23(26(33)27(31)34)25(32)18-8-12-20(13-9-18)35-4-2/h5-15,24,32H,3-4H2,1-2H3/b25-23+
InChIKey
AHXZCISSIWCXCE-WJTDDFOZSA-N
Synonyms
618423-46-4
(4E)5(4chlorophenyl)4((4ethoxyphenyl)(hydroxy)methylidene)1(6ethyl13benzothiazol2yl)pyrrolidine23dione
(4E)5(4CHLOROPHENYL)4((4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(6ETHYL13BENZOTHIAZOL2YL)PYRROLIDINE23DIONE
618423464
CCC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC=C(C=C4)OCC)O)C(=O)C3=O)C5=CC=C(C=C5)Cl
CCOc1ccc(cc1)C(=C1C(c2ccc(cc2)Cl)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)CC)O
InChI=1SC28H23ClN2O4Sc13165142122(1516)3628(3021)3124(1761019(29)11717)23(26(33)27(31)34)25(32)1881220(13918)3542h5152432H34H212H3b2523+
MFCD05732964
ZINC000102563502
ZINC000102563509

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Available files

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