Vitas-M small molecule compound

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

Catalog ID
STK616031
SMILES CCOc1ccc(cc1)C1/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)CC

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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(17-8-12-20(13-9-17)35-4-2)23(26(33)27(31)34)25(32)18-6-10-19(29)11-7-18/h5-15,24,32H,3-4H2,1-2H3/b25-23+
InChIKey
QYIOPETXOBDEPW-WJTDDFOZSA-N
Synonyms
618424-45-6
(4E)4((4chlorophenyl)(hydroxy)methylidene)5(4ethoxyphenyl)1(6ethyl13benzothiazol2yl)pyrrolidine23dione
(4E)4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)5(4ETHOXYPHENYL)1(6ETHYL13BENZOTHIAZOL2YL)PYRROLIDINE23DIONE
4((4CHLOROPHENYL)CARBONYL)5(4ETHOXYPHENYL)1(6ETHYLBENZOTHIAZOL2YL)3HYDROXY3PYRROLIN2ONE
618424456
CCC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC=C(C=C4)Cl)O)C(=O)C3=O)C5=CC=C(C=C5)OCC
CCOc1ccc(cc1)C1C(=C(c2ccc(cc2)Cl)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)CC
InChI=1SC28H23ClN2O4Sc13165142122(1516)3628(3021)3124(1781220(13917)3542)23(26(33)27(31)34)25(32)1861019(29)11718h5152432H34H212H3b2523+
MFCD08731380
ZINC000102714752
ZINC000102714754

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.