Vitas-M small molecule compound

(5Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-{[3-(3-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STK703013
SMILES CCCOc1ccc(cc1C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCc1ccc(c(c1)OC)OC)c1ccccc1

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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 C33H33N3O4S2 MW 599.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33N3O4S2/c1-5-17-40-27-14-12-24(18-22(27)2)31-25(21-36(34-31)26-9-7-6-8-10-26)20-30-32(37)35(33(41)42-30)16-15-23-11-13-28(38-3)29(19-23)39-4/h6-14,18-21H,5,15-17H2,1-4H3/b30-20-
InChIKey
LWKFZEDDBJYUEE-COEJQBHMSA-N
Synonyms

(5Z)3(2(34dimethoxyphenyl)ethyl)5((3(3methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3(2(34DIMETHOXYPHENYL)ETHYL)5((3(3METHYL4PROPOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3(34dimethoxyphenethyl)5((3(3methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)methylene)2thioxothiazolidin4one
CCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCC4=CC(=C(C=C4)OC)OC)C5=CC=CC=C5)C
CCCOc1ccc(cc1C)c1nn(cc1C=C1SC(=S)N(C1=O)CCc1ccc(c(c1)OC)OC)c1ccccc1
InChI=1SC33H33N3O4S2c15174027141224(1822(27)2)3125(2136(3431)2697681026)203032(37)35(33(41)4230)161523111328(383)29(1923)394h6141821H51517H214H3b3020
MFCD02994549
ZINC000100838579
ZINC100838579

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Available files

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