Vitas-M small molecule compound
3-(4-chloro-1H-indol-1-yl)-1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)propan-1-one
Catalog ID
STL309302
SMILES O=C(N1CCC2(C(C1)CCCC2)O)CCn1ccc2c1cccc2Cl
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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 C20H25ClN2O2 MW 360.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25ClN2O2/c21-17-5-3-6-18-16(17)7-11-22(18)12-8-19(24)23-13-10-20(25)9-2-1-4-15(20)14-23/h3,5-7,11,15,25H,1-2,4,8-10,12-14H2InChIKey
XVODSGUWVYKNCC-UHFFFAOYSA-NSynonyms
1(4ahydroxy13456788aoctahydroisoquinolin2yl)3(4chloroindol1yl)propan1one
3(4chloro1Hindol1yl)1((4aS8aS)4ahydroxyoctahydroisoquinolin2(1H)yl)propan1one
3(4chloro1Hindol1yl)1(4ahydroxyoctahydroisoquinolin2(1H)yl)propan1one
C1CCC2(CCN(CC2C1)C(=O)CCN3C=CC4=C3C=CC=C4Cl)O
InChI=1SC20H25ClN2O2c21175361816(17)71122(18)12819(24)23131020(25)921415(20)1423h357111525H1248101214H2
MFCD28028846
O=C(N1CC(C@@)2((C@H)(C1)CCCC2)O)CCn1ccc2c1cccc2Cl
ZINC000079494281
ZINC000095472470
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