Vitas-M small molecule compound
(5Z)-3-(2-ethylhexyl)-5-{[1-phenyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK702599
SMILES CCCCC(CN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCCC)c2ccccc2)/C1=O)CC
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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 C30H35N3O2S2 MW 533.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35N3O2S2/c1-4-7-11-22(6-3)20-32-29(34)27(37-30(32)36)19-24-21-33(25-12-9-8-10-13-25)31-28(24)23-14-16-26(17-15-23)35-18-5-2/h8-10,12-17,19,21-22H,4-7,11,18,20H2,1-3H3/b27-19-InChIKey
RZJKCSFUGZTADA-DIBXZPPDSA-NSynonyms
(5Z)3(2ethylhexyl)5((1phenyl3(4propoxyphenyl)1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3(2ETHYLHEXYL)5((1PHENYL3(4PROPOXYPHENYL)PYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3(2ethylhexyl)5((1phenyl3(4propoxyphenyl)1Hpyrazol4yl)methylene)2thioxothiazolidin4one
CCCCC(CC)CN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCCC)C4=CC=CC=C4)SC1=S
CCCCC(CN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCCC)c2ccccc2)C1=O)CC
InChI=1SC30H35N3O2S2c1471122(63)203229(34)27(3730(32)36)19242133(251298101325)3128(24)23141626(171523)351852h8101217192122H47111820H213H3b2719
MFCD02997770
ZINC000009438853
ZINC000013810342
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