Vitas-M small molecule compound
(5Z)-3-cyclopentyl-5-{[3-(7-methoxy-1-benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK818070
SMILES COc1cccc2c1oc(c2)c1nn(cc1/C=C/1\SC(=S)N(C1=O)C1CCCC1)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 C27H23N3O3S2 MW 501.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O3S2/c1-32-21-13-7-8-17-14-22(33-25(17)21)24-18(16-29(28-24)19-9-3-2-4-10-19)15-23-26(31)30(27(34)35-23)20-11-5-6-12-20/h2-4,7-10,13-16,20H,5-6,11-12H2,1H3/b23-15-InChIKey
KNNWCONPRPBXNX-HAHDFKILSA-NSynonyms
(5Z)3cyclopentyl5((3(7methoxy1benzofuran2yl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3CYCLOPENTYL5((3(7METHOXY1BENZOFURAN2YL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
COC1=CC=CC2=C1OC(=C2)C3=NN(C=C3C=C4C(=O)N(C(=S)S4)C5CCCC5)C6=CC=CC=C6
COc1cccc2c1oc(c2)c1nn(cc1C=C1SC(=S)N(C1=O)C1CCCC1)c1ccccc1
InChI=1SC27H23N3O3S2c132211378171422(3325(17)21)2418(1629(2824)1993241019)152326(31)30(27(34)3523)2011561220h24710131620H561112H21H3b2315
MFCD05022382
ZINC000016736722
ZINC16736722
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