Vitas-M small molecule compound
ethyl 4-ethyl-5-methyl-2-{[(2-{[(4-methylbenzyl)sulfanyl]acetyl}hydrazinyl)carbonothioyl]amino}thiophene-3-carboxylate
Catalog ID
STK446131
SMILES CCOC(=O)c1c(NC(=S)NNC(=O)CSCc2ccc(cc2)C)sc(c1CC)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 C21H27N3O3S3 MW 465.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O3S3/c1-5-16-14(4)30-19(18(16)20(26)27-6-2)22-21(28)24-23-17(25)12-29-11-15-9-7-13(3)8-10-15/h7-10H,5-6,11-12H2,1-4H3,(H,23,25)(H2,22,24,28)InChIKey
FSXBVRGTTSITTE-UHFFFAOYSA-NSynonyms
CCC1=C(SC(=C1C(=O)OCC)NC(=S)NNC(=O)CSCC2=CC=C(C=C2)C)C
ETHYL4ETHYL5METHYL2((((2((4METHYLPHENYL)METHYLTHIO)ACETYLAMINO)AMINO)THIOXOMETHYL)AMINO)THIOPHENE3CARBOXYLATE
ethyl4ethyl5methyl2(((2(((4methylbenzyl)sulfanyl)acetyl)hydrazinyl)carbonothioyl)amino)thiophene3carboxylate
ethyl4ethyl5methyl2(((2((4methylphenyl)methylsulfanyl)acetyl)amino)carbamothioylamino)thiophene3carboxylate
InChI=1SC21H27N3O3S3c151614(4)3019(18(16)20(26)2762)2221(28)242317(25)122911159713(3)81015h710H561112H214H3(H2325)(H2222428)
MFCD04058236
ZINC000020191559
ZINC20191559
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