Vitas-M small molecule compound
ethyl 4-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-methylphenyl)-2,5-dioxo-7-(thiophen-2-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
Catalog ID
STK686897
SMILES CCOC(=O)C1C(=O)C2=C(CC1c1cccs1)N(C(=O)CC2c1ccc2c(c1)OCO2)c1ccc(c(c1)Cl)C
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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 C30H26ClNO6S MW 564.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26ClNO6S/c1-3-36-30(35)28-20(25-5-4-10-39-25)13-22-27(29(28)34)19(17-7-9-23-24(11-17)38-15-37-23)14-26(33)32(22)18-8-6-16(2)21(31)12-18/h4-12,19-20,28H,3,13-15H2,1-2H3InChIKey
KBVIOFPXHFHKMA-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2C3=CC(=C(C=C3)C)Cl)C4=CC5=C(C=C4)OCO5)C6=CC=CS6
ethyl4(13benzodioxol5yl)1(3chloro4methylphenyl)25dioxo7(thiophen2yl)12345678octahydroquinoline6carboxylate
ethyl4(13benzodioxol5yl)1(3chloro4methylphenyl)25dioxo7thiophen2yl4678tetrahydro3Hquinoline6carboxylate
InChI=1SC30H26ClNO6Sc133630(35)2820(2554103925)132227(29(28)34)19(17792324(1117)38153723)1426(33)32(22)188616(2)21(31)1218h412192028H31315H212H3
MFCD06616690
ZINC000098008108
ZINC000103022723
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