Vitas-M small molecule compound

methyl 4-(4-methylpiperazin-1-yl)-3-[({[4-(2-methylpropoxy)phenyl]carbonyl}carbamothioyl)amino]benzoate

Catalog ID
STL089211
SMILES COC(=O)c1ccc(c(c1)NC(=S)NC(=O)c1ccc(cc1)OCC(C)C)N1CCN(CC1)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 C25H32N4O4S MW 484.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N4O4S/c1-17(2)16-33-20-8-5-18(6-9-20)23(30)27-25(34)26-21-15-19(24(31)32-4)7-10-22(21)29-13-11-28(3)12-14-29/h5-10,15,17H,11-14,16H2,1-4H3,(H2,26,27,30,34)
InChIKey
BHRCKHYVSOPCPN-UHFFFAOYSA-N
Synonyms

CC(C)COC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C
InChI=1SC25H32N4O4Sc117(2)1633208518(6920)23(30)2725(34)26211519(24(31)324)71022(21)29131128(3)121429h5101517H111416H214H3(H226273034)
methyl4(4methylpiperazin1yl)3((((4(2methylpropoxy)phenyl)carbonyl)carbamothioyl)amino)benzoate
methyl4(4methylpiperazin1yl)3((4(2methylpropoxy)benzoyl)carbamothioylamino)benzoate
MFCD07087267
ZINC000016575324
ZINC16575324

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Available files

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