Vitas-M small molecule compound
ethyl 3-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino}-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate
Catalog ID
STK188971
SMILES CCOC(=O)c1ccc(c(c1)NC(=O)c1sc2c(c1Cl)cccc2)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 C29H26ClN3O4S MW 548.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26ClN3O4S/c1-2-37-29(36)20-12-13-23(32-14-16-33(17-15-32)28(35)19-8-4-3-5-9-19)22(18-20)31-27(34)26-25(30)21-10-6-7-11-24(21)38-26/h3-13,18H,2,14-17H2,1H3,(H,31,34)InChIKey
QPKYXNUJZPXEGX-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C4=C(C5=CC=CC=C5S4)Cl
ETHYL3(((3CHLORO1BENZOTHIOPHEN2YL)CARBONYL)AMINO)4(4(PHENYLCARBONYL)PIPERAZIN1YL)BENZOATE
ethyl4(4benzoylpiperazin1yl)3((3chloro1benzothiophene2carbonyl)amino)benzoate
InChI=1SC29H26ClN3O4Sc123729(36)20121323(32141633(171532)28(35)198435919)22(1820)3127(34)2625(30)2110671124(21)3826h31318H21417H21H3(H3134)
MFCD06665062
ZINC000100405017
ZINC100405017
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