Vitas-M small molecule compound
(5Z)-5-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(propan-2-yl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK704123
SMILES CC(N1C(=S)S/C(=C\c2cn(nc2c2ccc3c(c2)OCCO3)c2ccccc2)/C1=O)C
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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 C24H21N3O3S2 MW 463.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O3S2/c1-15(2)27-23(28)21(32-24(27)31)13-17-14-26(18-6-4-3-5-7-18)25-22(17)16-8-9-19-20(12-16)30-11-10-29-19/h3-9,12-15H,10-11H2,1-2H3/b21-13-InChIKey
GHLZISWFOBIYAW-BKUYFWCQSA-NSynonyms
(5Z)5((3(23dihydro14benzodioxin6yl)1phenyl1Hpyrazol4yl)methylidene)3(propan2yl)2thioxo13thiazolidin4one
(5Z)5((3(23dihydro14benzodioxin6yl)1phenylpyrazol4yl)methylidene)3propan2yl2sulfanylidene13thiazolidin4one
CC(C)N1C(=O)C(=CC2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5)SC1=S
CC(N1C(=S)SC(=Cc2cn(nc2c2ccc3c(c2)OCCO3)c2ccccc2)C1=O)C
InChI=1SC24H21N3O3S2c115(2)2723(28)21(3224(27)31)13171426(186435718)2522(17)16891920(1216)3011102919h391215H1011H212H3b2113
MFCD04446386
ZINC000015227826
ZINC15227826
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