Vitas-M small molecule compound
(5Z)-3-benzyl-5-{[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK704120
SMILES CC1Oc2c(C1)cc(cc2)c1nn(cc1/C=C/1\SC(=S)N(C1=O)Cc1ccccc1)c1ccccc1
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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 C29H23N3O2S2 MW 509.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N3O2S2/c1-19-14-22-15-21(12-13-25(22)34-19)27-23(18-32(30-27)24-10-6-3-7-11-24)16-26-28(33)31(29(35)36-26)17-20-8-4-2-5-9-20/h2-13,15-16,18-19H,14,17H2,1H3/b26-16-InChIKey
HDUVHOZIYLXBNJ-QQXSKIMKSA-NSynonyms
(5Z)3benzyl5((3(2methyl23dihydro1benzofuran5yl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3BENZYL5((3(2METHYL23DIHYDRO1BENZOFURAN5YL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
CC1CC2=C(O1)C=CC(=C2)C3=NN(C=C3C=C4C(=O)N(C(=S)S4)CC5=CC=CC=C5)C6=CC=CC=C6
CC1Oc2c(C1)cc(cc2)c1nn(cc1C=C1SC(=S)N(C1=O)Cc1ccccc1)c1ccccc1
InChI=1SC29H23N3O2S2c11914221521(121325(22)3419)2723(1832(3027)24106371124)162628(33)31(29(35)3626)17208425920h21315161819H1417H21H3b2616
MFCD04526279
ZINC000015227828
ZINC000015227830
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