Vitas-M small molecule compound
(4a-hydroxyoctahydroisoquinolin-2(1H)-yl){1-[(4-methoxyphenyl)sulfonyl]piperidin-4-yl}methanone
Catalog ID
STL319806
SMILES COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N1CCC2(C(C1)CCCC2)O
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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 C22H32N2O5S MW 436.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H32N2O5S/c1-29-19-5-7-20(8-6-19)30(27,28)24-13-9-17(10-14-24)21(25)23-15-12-22(26)11-3-2-4-18(22)16-23/h5-8,17-18,26H,2-4,9-16H2,1H3InChIKey
HORQXMOKTWANJQ-UHFFFAOYSA-NSynonyms
((4aS8aS)4ahydroxyoctahydroisoquinolin2(1H)yl)(1((4methoxyphenyl)sulfonyl)piperidin4yl)methanone
(4ahydroxy13456788aoctahydroisoquinolin2yl)(1(4methoxyphenyl)sulfonylpiperidin4yl)methanone
(4ahydroxyoctahydroisoquinolin2(1H)yl)(1((4methoxyphenyl)sulfonyl)piperidin4yl)methanone
COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC4(CCCCC4C3)O
COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N1CC(C@@)2((C@H)(C1)CCCC2)O
InChI=1SC22H32N2O5Sc129195720(8619)30(2728)2413917(101424)21(25)23151222(26)1132418(22)1623h58171826H24916H21H3
MFCD28029140
ZINC000079494995
ZINC000095480354
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