Vitas-M small molecule compound
(5Z)-5-{[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-hexyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK880740
SMILES CCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)OC)OC)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 C27H29N3O3S2 MW 507.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O3S2/c1-4-5-6-10-15-29-26(31)24(35-27(29)34)17-20-18-30(21-11-8-7-9-12-21)28-25(20)19-13-14-22(32-2)23(16-19)33-3/h7-9,11-14,16-18H,4-6,10,15H2,1-3H3/b24-17-InChIKey
MQKQKBHONKLUQW-ULJHMMPZSA-NSynonyms
(5Z)5((3(34dimethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3hexyl2thioxo13thiazolidin4one
(5Z)5((3(34dimethoxyphenyl)1phenylpyrazol4yl)methylidene)3hexyl2sulfanylidene13thiazolidin4one
5((3(34DIMETHOXYPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)3HEXYL2THIOXOTHIAZOLIDIN4ONE
CCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4)SC1=S
CCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)OC)OC)c2ccccc2)C1=O
InChI=1SC27H29N3O3S2c145610152926(31)24(3527(29)34)17201830(21118791221)2825(20)19131422(322)23(1619)333h7911141618H461015H213H3b2417
MFCD04441330
ZINC000016729693
ZINC16729693
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