Vitas-M small molecule compound
(5Z)-5-{[3-(4-ethoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(3-ethoxypropyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK799172
SMILES CCOCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2C)OCC)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/c1-4-32-15-9-14-29-26(31)24(35-27(29)34)17-20-18-30(21-10-7-6-8-11-21)28-25(20)23-13-12-22(33-5-2)16-19(23)3/h6-8,10-13,16-18H,4-5,9,14-15H2,1-3H3/b24-17-InChIKey
MTKYWHMDJGKFLY-ULJHMMPZSA-NSynonyms
(5Z)5((3(4ethoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylidene)3(3ethoxypropyl)2thioxo13thiazolidin4one
(5Z)5((3(4ethoxy2methylphenyl)1phenylpyrazol4yl)methylidene)3(3ethoxypropyl)2sulfanylidene13thiazolidin4one
CCOCCCN1C(=O)C(=CC2=CN(N=C2C3=C(C=C(C=C3)OCC)C)C4=CC=CC=C4)SC1=S
CCOCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2C)OCC)c2ccccc2)C1=O
InChI=1SC27H29N3O3S2c1432159142926(31)24(3527(29)34)17201830(21107681121)2825(20)23131222(3352)1619(23)3h6810131618H4591415H213H3b2417
MFCD03418445
ZINC000016700756
ZINC16700756
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