Vitas-M small molecule compound
(5Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-{[3-(4-methoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK798993
SMILES COc1ccc(cc1C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCc1ccc(c(c1)OC)OC)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 C31H29N3O4S2 MW 571.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N3O4S2/c1-20-16-22(11-13-25(20)36-2)29-23(19-34(32-29)24-8-6-5-7-9-24)18-28-30(35)33(31(39)40-28)15-14-21-10-12-26(37-3)27(17-21)38-4/h5-13,16-19H,14-15H2,1-4H3/b28-18-InChIKey
GSCLDFIRJQYUID-VEILYXNESA-NSynonyms
(5Z)3(2(34dimethoxyphenyl)ethyl)5((3(4methoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3(2(34DIMETHOXYPHENYL)ETHYL)5((3(4METHOXY3METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCC4=CC(=C(C=C4)OC)OC)C5=CC=CC=C5)OC
COc1ccc(cc1C)c1nn(cc1C=C1SC(=S)N(C1=O)CCc1ccc(c(c1)OC)OC)c1ccccc1
InChI=1SC31H29N3O4S2c1201622(111325(20)362)2923(1934(3229)248657924)182830(35)33(31(39)4028)151421101226(373)27(1721)384h5131619H1415H214H3b2818
MFCD03462179
ZINC000097946397
ZINC97946397
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