Vitas-M small molecule compound
propan-2-yl 4-[4-(acetyloxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372566
SMILES CC(OC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)OC(=O)C)C(=O)CC(C2)(C)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 C24H29NO5 MW 411.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29NO5/c1-13(2)29-23(28)20-14(3)25-18-11-24(5,6)12-19(27)22(18)21(20)16-7-9-17(10-8-16)30-15(4)26/h7-10,13,21,25H,11-12H2,1-6H3InChIKey
NPEWSQPFRJQIEC-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)OC(=O)C)C(=O)OC(C)C
InChI=1SC24H29NO5c113(2)2923(28)2014(3)25181124(56)1219(27)22(18)21(20)167917(10816)3015(4)26h710132125H1112H216H3
MFCD00622814
propan2yl4(4(acetyloxy)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
propan2yl4(4acetyloxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
ZINC000019536014
ZINC000019536016
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