Vitas-M small molecule compound
[1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl](thiophen-2-yl)methanone
Catalog ID
STL348388
SMILES CCOc1ccccc1C1N(CCC2(C1CCCC2)O)C(=O)c1cccs1
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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 C22H27NO3S MW 385.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO3S/c1-2-26-18-10-4-3-8-16(18)20-17-9-5-6-12-22(17,25)13-14-23(20)21(24)19-11-7-15-27-19/h3-4,7-8,10-11,15,17,20,25H,2,5-6,9,12-14H2,1H3InChIKey
RPGASFVGBMBKCI-UHFFFAOYSA-NSynonyms
1005103-94-5(1(2ethoxyphenyl)4ahydroxy13456788aoctahydroisoquinolin2yl)thiophen2ylmethanone
(1(2ethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)(thiophen2yl)methanone
(1(2ETHOXYPHENYL)4AHYDROXYOCTAHYDROISOQUINOLIN2YL)THIOPHEN2YLMETHANONE
1005103945
CCOC1=CC=CC=C1C2C3CCCCC3(CCN2C(=O)C4=CC=CS4)O
InChI=1SC22H27NO3Sc1226181043816(18)20179561222(1725)131423(20)21(24)19117152719h3478101115172025H25691214H21H3
MFCD05687477
ZINC000005500903
ZINC000013142850
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