Vitas-M small molecule compound

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

Catalog ID
STK812801
SMILES CCOc1ccc(cc1F)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 C31H28FN3O4S2 MW 589.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28FN3O4S2/c1-4-39-25-13-11-21(17-24(25)32)29-22(19-35(33-29)23-8-6-5-7-9-23)18-28-30(36)34(31(40)41-28)15-14-20-10-12-26(37-2)27(16-20)38-3/h5-13,16-19H,4,14-15H2,1-3H3/b28-18-
InChIKey
RDPBBQHCUOGSSN-VEILYXNESA-N
Synonyms

(5Z)3(2(34dimethoxyphenyl)ethyl)5((3(4ethoxy3fluorophenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3(2(34DIMETHOXYPHENYL)ETHYL)5((3(4ETHOXY3FLUOROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
CCOC1=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)F
CCOc1ccc(cc1F)c1nn(cc1C=C1SC(=S)N(C1=O)CCc1ccc(c(c1)OC)OC)c1ccccc1
InChI=1SC31H28FN3O4S2c143925131121(1724(25)32)2922(1935(3329)238657923)182830(36)34(31(40)4128)151420101226(372)27(1620)383h5131619H41415H213H3b2818
MFCD03506526
ZINC000097946489
ZINC97946489

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Available files

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