Vitas-M small molecule compound

dimethyl 2-({[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,4-dicarboxylate

Catalog ID
STK868381
SMILES COC(=O)c1ccc(cc1NC(=S)N1CCN(CC1)C(=O)c1ccco1)C(=O)OC

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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 C20H21N3O6S MW 431.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O6S/c1-27-18(25)13-5-6-14(19(26)28-2)15(12-13)21-20(30)23-9-7-22(8-10-23)17(24)16-4-3-11-29-16/h3-6,11-12H,7-10H2,1-2H3,(H,21,30)
InChIKey
GLZCVTIBEVRRPD-UHFFFAOYSA-N
Synonyms
847477-79-6
847477796
COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)N2CCN(CC2)C(=O)C3=CC=CO3
dimethyl2(((4(furan2ylcarbonyl)piperazin1yl)carbonothioyl)amino)benzene14dicarboxylate
DIMETHYL2(((4(FURAN2YLCARBONYL)PIPERAZIN1YL)CARBOTHIOYL)AMINO)BENZENE14DICARBOXYLATE
DIMETHYL2((4(FURAN2CARBONYL)PIPERAZINE1CARBOTHIOYL)AMINO)BENZENE14DICARBOXYLATE
dimethyl2(4(furan2carbonyl)piperazine1carbothioamido)terephthalate
InChI=1SC20H21N3O6Sc12718(25)135614(19(26)282)15(1213)2120(30)239722(81023)17(24)1643112916h361112H710H212H3(H2130)
METHYL3(((4(2FURYLCARBONYL)PIPERAZINYL)THIOXOMETHYL)AMINO)4(METHOXYCARBONYL)BENZOATE
MFCD06150109
ZINC000002241084
ZINC02241084
ZINC2241084

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.