Vitas-M small molecule compound
ethyl 3-({[(3-chlorophenyl)carbonyl]carbamothioyl}amino)-4-(4-ethylpiperazin-1-yl)benzoate
Catalog ID
STK205701
SMILES CCOC(=O)c1ccc(c(c1)NC(=S)NC(=O)c1cccc(c1)Cl)N1CCN(CC1)CC
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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 C23H27ClN4O3S MW 475.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27ClN4O3S/c1-3-27-10-12-28(13-11-27)20-9-8-17(22(30)31-4-2)15-19(20)25-23(32)26-21(29)16-6-5-7-18(24)14-16/h5-9,14-15H,3-4,10-13H2,1-2H3,(H2,25,26,29,32)InChIKey
ZKYAAIWKIZPPIL-UHFFFAOYSA-NSynonyms
CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC)NC(=S)NC(=O)C3=CC(=CC=C3)Cl
ETHYL3((((3CHLOROPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)4(4ETHYLPIPERAZIN1YL)BENZOATE
ethyl3((3chlorobenzoyl)carbamothioylamino)4(4ethylpiperazin1yl)benzoate
InChI=1SC23H27ClN4O3Sc1327101228(131127)209817(22(30)3142)1519(20)2523(32)2621(29)1665718(24)1416h591415H341013H212H3(H225262932)
MFCD06666755
ZINC000009971593
ZINC9971593
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