Vitas-M small molecule compound

(5E)-3-[2-(1H-indol-3-yl)ethyl]-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]-2-[(4-methoxyphenyl)imino]-1,3-thiazolidin-4-one

Catalog ID
STK155013
SMILES COc1cc2OCOc2cc1/C=C\1/S/C(=N\c2ccc(cc2)OC)/N(C1=O)CCc1c[nH]c2c1cccc2

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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 C29H25N3O5S MW 527.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N3O5S/c1-34-21-9-7-20(8-10-21)31-29-32(12-11-18-16-30-23-6-4-3-5-22(18)23)28(33)27(38-29)14-19-13-25-26(37-17-36-25)15-24(19)35-2/h3-10,13-16,30H,11-12,17H2,1-2H3/b27-14+,31-29?
InChIKey
YQHMERPFMFOAMB-QVPKUCOYSA-N
Synonyms

(5E)3(2(1HINDOL3YL)ETHYL)5((6METHOXY13BENZODIOXOL5YL)METHYLIDENE)2((4METHOXYPHENYL)IMINO)13THIAZOLIDIN4ONE
(5E)3(2(1HINDOL3YL)ETHYL)5((6METHOXY13BENZODIOXOL5YL)METHYLIDENE)2(4METHOXYPHENYL)IMINO13THIAZOLIDIN4ONE
3(2(1HINDOL3YL)ETHYL)5((6METHOXY13BENZODIOXOL5YL)METHYLENE)2((4METHOXYPHENYL)IMINO)13THIAZOLIDIN4ONE
COC1=CC=C(C=C1)N=C2N(C(=O)C(=CC3=CC4=C(C=C3OC)OCO4)S2)CCC5=CNC6=CC=CC=C65
COc1cc2OCOc2cc1C=C1SC(=Nc2ccc(cc2)OC)N(C1=O)CCc1c(nH)c2c1cccc2
InChI=1SC29H25N3O5Sc134219720(81021)312932(121118163023643522(18)23)28(33)27(3829)1419132526(37173625)1524(19)352h310131630H111217H212H3b2714+3129?
MFCD04481715
ZINC000245312908
ZINC08396527
ZINC101638598
ZINC8396527

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Available files

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