Vitas-M small molecule compound

ethyl 4-({[4-(4-hydroxyphenyl)piperazin-1-yl]carbonothioyl}amino)benzoate

Catalog ID
STK415020
SMILES CCOC(=O)c1ccc(cc1)NC(=S)N1CCN(CC1)c1ccc(cc1)O

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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 C20H23N3O3S MW 385.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O3S/c1-2-26-19(25)15-3-5-16(6-4-15)21-20(27)23-13-11-22(12-14-23)17-7-9-18(24)10-8-17/h3-10,24H,2,11-14H2,1H3,(H,21,27)
InChIKey
NIBGOEJJVLIPEV-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)O
ethyl4(((4(4hydroxyphenyl)piperazin1yl)carbonothioyl)amino)benzoate
ETHYL4(((4(4HYDROXYPHENYL)PIPERAZINYL)THIOXOMETHYL)AMINO)BENZOATE
ethyl4((4(4hydroxyphenyl)piperazine1carbothioyl)amino)benzoate
InChI=1SC20H23N3O3Sc122619(25)153516(6415)2120(27)23131122(121423)177918(24)10817h31024H21114H21H3(H2127)
MFCD04058744
ZINC000006392559
ZINC06392559
ZINC6392559

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Available files

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