Vitas-M small molecule compound
(5Z)-3-(butan-2-yl)-5-{[3-(2-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK799141
SMILES CCCOc1ccc(c(c1)C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)C(CC)C)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 C27H29N3O2S2 MW 491.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O2S2/c1-5-14-32-22-12-13-23(18(3)15-22)25-20(17-29(28-25)21-10-8-7-9-11-21)16-24-26(31)30(19(4)6-2)27(33)34-24/h7-13,15-17,19H,5-6,14H2,1-4H3/b24-16-InChIKey
NBVMGLFNXKLCEG-JLPGSUDCSA-NSynonyms
(5Z)3(butan2yl)5((3(2methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3BUTAN2YL5((3(2METHYL4PROPOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
CCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)C(C)CC)C4=CC=CC=C4)C
CCCOc1ccc(c(c1)C)c1nn(cc1C=C1SC(=S)N(C1=O)C(CC)C)c1ccccc1
InChI=1SC27H29N3O2S2c15143222121323(18(3)1522)2520(1729(2825)21108791121)162426(31)30(19(4)62)27(33)3424h713151719H5614H214H3b2416
MFCD03418111
ZINC000002671906
ZINC000002671908
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