Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 7-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK406514
SMILES CN(c1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cccs1)C(=O)OCC1CCCO1)C)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 C28H32N2O4S MW 492.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2O4S/c1-17-25(28(32)34-16-21-6-4-12-33-21)27(24-7-5-13-35-24)26-22(29-17)14-19(15-23(26)31)18-8-10-20(11-9-18)30(2)3/h5,7-11,13,19,21,27,29H,4,6,12,14-16H2,1-3H3InChIKey
DMDHAFZYCRVSNC-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)N(C)C)C4=CC=CS4)C(=O)OCC5CCCO5
InChI=1SC28H32N2O4Sc11725(28(32)34162164123321)27(2475133524)2622(2917)1419(1523(26)31)1881020(11918)30(2)3h57111319212729H46121416H213H3
MFCD06000564
oxolan2ylmethyl7(4(dimethylamino)phenyl)2methyl5oxo4thiophen2yl4678tetrahydro1Hquinoline3carboxylate
tetrahydrofuran2ylmethyl7(4(dimethylamino)phenyl)2methyl5oxo4(thiophen2yl)145678hexahydroquinoline3carboxylate
ZINC000002868552
ZINC000035824089
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