Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-[4-(acetyloxy)phenyl]-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK701229
SMILES CC(=O)Oc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCC1CCCO1
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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 C28H29NO6S MW 507.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29NO6S/c1-16-25(28(32)34-15-21-5-3-11-33-21)26(18-7-9-20(10-8-18)35-17(2)30)27-22(29-16)13-19(14-23(27)31)24-6-4-12-36-24/h4,6-10,12,19,21,26,29H,3,5,11,13-15H2,1-2H3InChIKey
HKBLEGXWTKSSFK-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC=C(C=C4)OC(=O)C)C(=O)OCC5CCCO5
InChI=1SC28H29NO6Sc11625(28(32)34152153113321)26(187920(10818)3517(2)30)2722(2916)1319(1423(27)31)2464123624h46101219212629H35111315H212H3
MFCD03036716
oxolan2ylmethyl4(4acetyloxyphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
tetrahydrofuran2ylmethyl4(4(acetyloxy)phenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
ZINC000000717686
ZINC000230000103
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