Vitas-M small molecule compound
(5Z)-5-({3-[2-methyl-3-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-propyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK880866
SMILES CCCN1C(=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 C27H29N3O2S2 MW 491.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O2S2/c1-5-14-29-26(31)24(34-27(29)33)15-20-16-30(21-10-7-6-8-11-21)28-25(20)22-12-9-13-23(19(22)4)32-17-18(2)3/h6-13,15-16,18H,5,14,17H2,1-4H3/b24-15-InChIKey
YQSGIMAJFZYJLA-IWIPYMOSSA-NSynonyms
(5Z)5((3(2methyl3(2methylpropoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3propyl2thioxo13thiazolidin4one
(5Z)5((3(2methyl3(2methylpropoxy)phenyl)1phenylpyrazol4yl)methylidene)3propyl2sulfanylidene13thiazolidin4one
5((3(3ISOBUTOXY2METHYLPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)3PROPYL2THIOXOTHIAZOLIDIN4ONE
CCCN1C(=O)C(=CC2=CN(N=C2C3=C(C(=CC=C3)OCC(C)C)C)C4=CC=CC=C4)SC1=S
CCCN1C(=S)SC(=Cc2cn(nc2c2cccc(c2C)OCC(C)C)c2ccccc2)C1=O
InChI=1SC27H29N3O2S2c15142926(31)24(3427(29)33)15201630(21107681121)2825(20)221291323(19(22)4)321718(2)3h613151618H51417H214H3b2415
MFCD04441408
ZINC000016729850
ZINC16729850
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