Vitas-M small molecule compound
ethyl 3-({[(3-chlorophenyl)carbonyl]carbamothioyl}amino)-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate
Catalog ID
STK205696
SMILES CCOC(=O)c1ccc(c(c1)NC(=S)NC(=O)c1cccc(c1)Cl)N1CCN(CC1)C(=O)c1ccccc1
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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 C28H27ClN4O4S MW 551.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27ClN4O4S/c1-2-37-27(36)21-11-12-24(32-13-15-33(16-14-32)26(35)19-7-4-3-5-8-19)23(18-21)30-28(38)31-25(34)20-9-6-10-22(29)17-20/h3-12,17-18H,2,13-16H2,1H3,(H2,30,31,34,38)InChIKey
YVVPAYOGXAHTCA-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=S)NC(=O)C4=CC(=CC=C4)Cl
ETHYL3((((3CHLOROPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)4(4(PHENYLCARBONYL)PIPERAZIN1YL)BENZOATE
ethyl4(4benzoylpiperazin1yl)3((3chlorobenzoyl)carbamothioylamino)benzoate
InChI=1SC28H27ClN4O4Sc123727(36)21111224(32131533(161432)26(35)197435819)23(1821)3028(38)3125(34)20961022(29)1720h3121718H21316H21H3(H230313438)
MFCD06666750
ZINC000097948065
ZINC97948065
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