Vitas-M small molecule compound
ethyl 3-({[(2-methoxy-3-methylphenyl)carbonyl]carbamothioyl}amino)-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate
Catalog ID
STK205698
SMILES CCOC(=O)c1ccc(c(c1)NC(=S)NC(=O)c1cccc(c1OC)C)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 C30H32N4O5S MW 560.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N4O5S/c1-4-39-29(37)22-13-14-25(33-15-17-34(18-16-33)28(36)21-10-6-5-7-11-21)24(19-22)31-30(40)32-27(35)23-12-8-9-20(2)26(23)38-3/h5-14,19H,4,15-18H2,1-3H3,(H2,31,32,35,40)InChIKey
CNOLPVDMFLDQJE-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=S)NC(=O)C4=C(C(=CC=C4)C)OC
ETHYL3((((2METHOXY3METHYLPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)4(4(PHENYLCARBONYL)PIPERAZIN1YL)BENZOATE
ethyl4(4benzoylpiperazin1yl)3((2methoxy3methylbenzoyl)carbamothioylamino)benzoate
InChI=1SC30H32N4O5Sc143929(37)22131425(33151734(181633)28(36)21106571121)24(1922)3130(40)3227(35)23128920(2)26(23)383h51419H41518H213H3(H231323540)
MFCD06666752
ZINC000097948278
ZINC97948278
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