Vitas-M small molecule compound

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

Catalog ID
STK798949
SMILES CCCCCCOc1ccc(cc1)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 C35H37N3O4S2 MW 627.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H37N3O4S2/c1-4-5-6-10-21-42-29-16-14-26(15-17-29)33-27(24-38(36-33)28-11-8-7-9-12-28)23-32-34(39)37(35(43)44-32)20-19-25-13-18-30(40-2)31(22-25)41-3/h7-9,11-18,22-24H,4-6,10,19-21H2,1-3H3/b32-23-
InChIKey
XLXPESAHHMSRQS-SJIPCVTESA-N
Synonyms

(5Z)3(2(34dimethoxyphenyl)ethyl)5((3(4(hexyloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3(2(34DIMETHOXYPHENYL)ETHYL)5((3(4HEXOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
CCCCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCC4=CC(=C(C=C4)OC)OC)C5=CC=CC=C5
CCCCCCOc1ccc(cc1)c1nn(cc1C=C1SC(=S)N(C1=O)CCc1ccc(c(c1)OC)OC)c1ccccc1
InChI=1SC35H37N3O4S2c145610214229161426(151729)3327(2438(3633)28118791228)233234(39)37(35(43)4432)201925131830(402)31(2225)413h7911182224H46101921H213H3b3223
MFCD03462155
ZINC000097946213
ZINC97946213

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Available files

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