Vitas-M small molecule compound
(5Z)-3-butyl-5-{[3-(3-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK706560
SMILES CCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)C)OCCC)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/c1-4-6-14-29-26(31)24(34-27(29)33)17-21-18-30(22-10-8-7-9-11-22)28-25(21)20-12-13-23(19(3)16-20)32-15-5-2/h7-13,16-18H,4-6,14-15H2,1-3H3/b24-17-InChIKey
KBVWUJOKDDMXAS-ULJHMMPZSA-NSynonyms
(5Z)3butyl5((3(3methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3BUTYL5((3(3METHYL4PROPOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3butyl5((3(3methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)methylene)2thioxothiazolidin4one
CCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OCCC)C)C4=CC=CC=C4)SC1=S
CCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)C)OCCC)c2ccccc2)C1=O
InChI=1SC27H29N3O2S2c146142926(31)24(3427(29)33)17211830(22108791122)2825(21)20121323(19(3)1620)321552h7131618H461415H213H3b2417
MFCD02987301
ZINC000002365400
ZINC02365400
ZINC2365400
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