Vitas-M small molecule compound

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

Catalog ID
STK880871
SMILES COCCCN1C(=S)S/C(=C\c2cn(nc2c2cccc(c2C)OCC(C)C)c2ccccc2)/C1=O

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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 C28H31N3O3S2 MW 521.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O3S2/c1-19(2)18-34-24-13-8-12-23(20(24)3)26-21(17-31(29-26)22-10-6-5-7-11-22)16-25-27(32)30(28(35)36-25)14-9-15-33-4/h5-8,10-13,16-17,19H,9,14-15,18H2,1-4H3/b25-16-
InChIKey
NJLXBNOKBFOPRK-XYGWBWBKSA-N
Synonyms

(5Z)3(3methoxypropyl)5((3(2methyl3(2methylpropoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3(3METHOXYPROPYL)5((3(2METHYL3(2METHYLPROPOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
5((3(3ISOBUTOXY2METHYLPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)3(3METHOXYPROPYL)2THIOXOTHIAZOLIDIN4ONE
CC1=C(C=CC=C1OCC(C)C)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCOC)C4=CC=CC=C4
COCCCN1C(=S)SC(=Cc2cn(nc2c2cccc(c2C)OCC(C)C)c2ccccc2)C1=O
InChI=1SC28H31N3O3S2c119(2)1834241381223(20(24)3)2621(1731(2926)22106571122)162527(32)30(28(35)3625)14915334h581013161719H9141518H214H3b2516
MFCD04441412
ZINC000016729857
ZINC16729857

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Available files

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