Vitas-M small molecule compound
methyl 5-benzyl-2-{[(2-{[1-(methylsulfonyl)piperidin-4-yl]carbonyl}hydrazinyl)carbonothioyl]amino}thiophene-3-carboxylate
Catalog ID
STK483151
SMILES COC(=O)c1cc(sc1NC(=S)NNC(=O)C1CCN(CC1)S(=O)(=O)C)Cc1ccccc1
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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 C21H26N4O5S3 MW 510.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O5S3/c1-30-20(27)17-13-16(12-14-6-4-3-5-7-14)32-19(17)22-21(31)24-23-18(26)15-8-10-25(11-9-15)33(2,28)29/h3-7,13,15H,8-12H2,1-2H3,(H,23,26)(H2,22,24,31)InChIKey
HKJHDKYJPDZEFH-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NNC(=O)C3CCN(CC3)S(=O)(=O)C
InChI=1SC21H26N4O5S3c13020(27)171316(12146435714)3219(17)2221(31)242318(26)1581025(11915)33(228)29h371315H812H212H3(H2326)(H2222431)
METHYL2(((((1(METHYLSULFONYL)(4PIPERIDYL))CARBONYLAMINO)AMINO)THIOXOMETHYL)AMINO)5BENZYLTHIOPHENE3CARBOXYLATE
methyl5benzyl2(((1methylsulfonylpiperidine4carbonyl)amino)carbamothioylamino)thiophene3carboxylate
methyl5benzyl2(((2((1(methylsulfonyl)piperidin4yl)carbonyl)hydrazinyl)carbonothioyl)amino)thiophene3carboxylate
MFCD04137566
ZINC000013323850
ZINC13323850
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