Vitas-M small molecule compound
2,7,7-trimethyl-N-(4-methylphenyl)-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Catalog ID
STK406105
SMILES CSc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)Nc1ccc(cc1)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 C27H30N2O2S MW 446.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O2S/c1-16-6-10-19(11-7-16)29-26(31)23-17(2)28-21-14-27(3,4)15-22(30)25(21)24(23)18-8-12-20(32-5)13-9-18/h6-13,24,28H,14-15H2,1-5H3,(H,29,31)InChIKey
VUTUFMZWYNJASA-UHFFFAOYSA-NSynonyms
277trimethylN(4methylphenyl)4(4(methylsulfanyl)phenyl)5oxo145678hexahydroquinoline3carboxamide
277trimethylN(4methylphenyl)4(4methylsulfanylphenyl)5oxo1468tetrahydroquinoline3carboxamide
CC1=CC=C(C=C1)NC(=O)C2=C(NC3=C(C2C4=CC=C(C=C4)SC)C(=O)CC(C3)(C)C)C
InChI=1SC27H30N2O2Sc11661019(11716)2926(31)2317(2)28211427(34)1522(30)25(21)24(23)1881220(325)13918h6132428H1415H215H3(H2931)
MFCD04215867
ZINC000016293773
ZINC000016293774
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