Vitas-M small molecule compound
2-phenylethyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK407258
SMILES O=C(C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)c1ccccc1)OCCc1ccccc1
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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 C32H29NO5 MW 507.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29NO5/c1-20-29(32(35)36-15-14-21-8-4-2-5-9-21)30(23-12-13-27-28(18-23)38-19-37-27)31-25(33-20)16-24(17-26(31)34)22-10-6-3-7-11-22/h2-13,18,24,30,33H,14-17,19H2,1H3InChIKey
AUUIYBYETNFGIJ-UHFFFAOYSA-NSynonyms
2phenylethyl4(13benzodioxol5yl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
2phenylethyl4(13benzodioxol5yl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)C(=O)OCCC6=CC=CC=C6
InChI=1SC32H29NO5c12029(32(35)361514218425921)30(2312132728(1823)38193727)3125(3320)1624(1726(31)34)22106371122h21318243033H141719H21H3
MFCD01445576
ZINC000000651905
ZINC000019770189
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