Vitas-M small molecule compound
methyl 6-methyl-2-{[(2-{[(4-methylbenzyl)sulfanyl]acetyl}hydrazinyl)carbonothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK446137
SMILES COC(=O)c1c(NC(=S)NNC(=O)CSCc2ccc(cc2)C)sc2c1CCC(C2)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 C22H27N3O3S3 MW 477.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O3S3/c1-13-4-7-15(8-5-13)11-30-12-18(26)24-25-22(29)23-20-19(21(27)28-3)16-9-6-14(2)10-17(16)31-20/h4-5,7-8,14H,6,9-12H2,1-3H3,(H,24,26)(H2,23,25,29)InChIKey
RAWSCCYRFAWRID-UHFFFAOYSA-NSynonyms
CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NNC(=O)CSCC3=CC=C(C=C3)C
InChI=1SC22H27N3O3S3c1134715(8513)11301218(26)242522(29)232019(21(27)283)169614(2)1017(16)3120h457814H6912H213H3(H2426)(H2232529)
methyl6methyl2(((2(((4methylbenzyl)sulfanyl)acetyl)hydrazinyl)carbonothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6methyl2(((2((4methylphenyl)methylsulfanyl)acetyl)amino)carbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
MFCD04058480
ZINC000020367400
ZINC000020367402
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