Vitas-M small molecule compound
methyl 2-[({1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}acetyl)amino]-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STL231838
SMILES CCN(c1ccc(cc1)C1N(CCC2(C1CCCC2)O)CC(=O)Nc1sc(c(c1C(=O)OC)C)C)CC
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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 C29H41N3O4S MW 527.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H41N3O4S/c1-6-31(7-2)22-13-11-21(12-14-22)26-23-10-8-9-15-29(23,35)16-17-32(26)18-24(33)30-27-25(28(34)36-5)19(3)20(4)37-27/h11-14,23,26,35H,6-10,15-18H2,1-5H3,(H,30,33)InChIKey
BGJBHNMVORQADH-UHFFFAOYSA-NSynonyms
1009185-29-81009185298
CCN(CC)C1=CC=C(C=C1)C2C3CCCCC3(CCN2CC(=O)NC4=C(C(=C(S4)C)C)C(=O)OC)O
InChI=1SC29H41N3O4Sc1631(72)22131121(121422)262310891529(2335)161732(26)1824(33)302725(28(34)365)19(3)20(4)3727h1114232635H6101518H215H3(H3033)
methyl2(((1(4(diethylamino)phenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)acetyl)amino)45dimethylthiophene3carboxylate
methyl2((2(1(4(diethylamino)phenyl)4ahydroxy13456788aoctahydroisoquinolin2yl)acetyl)amino)45dimethylthiophene3carboxylate
methyl2(2(1(4(diethylamino)phenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)acetamido)45dimethylthiophene3carboxylate
MFCD04179564
ZINC000002199385
ZINC000013776531
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