Vitas-M small molecule compound
7,8-dimethoxy-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]-1-oxo-1H-isothiochromene-3-carboxamide
Catalog ID
STL550776
SMILES COc1c(OC)ccc2c1c(=O)sc(c2)C(=O)NC[C@@H]1CCCN2[C@@H]1CCCC2
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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 C22H28N2O4S MW 416.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N2O4S/c1-27-17-9-8-14-12-18(29-22(26)19(14)20(17)28-2)21(25)23-13-15-6-5-11-24-10-4-3-7-16(15)24/h8-9,12,15-16H,3-7,10-11,13H2,1-2H3,(H,23,25)/t15-,16+/m0/s1InChIKey
BWVFAHCYOSTRQD-JKSUJKDBSA-NSynonyms
~(N)(((1~(S)9~(a)~(R))23467899~(a)octahydro1~(H)quinolizin1yl)methyl)78dimethoxy1oxoisothiochromene3carboxamide
132352495
78dimethoxyN(((1S9aR)octahydro1Hquinolizin1yl)methyl)1oxo1Hisothiochromene3carboxamide
78dimethoxyN((1S9aR)octahydro2Hquinolizin1ylmethyl)1oxo1Hisothiochromene3carboxamide
COc1c(OC)ccc2c1c(=O)sc(c2)C(=O)NC(C@@H)1CCCN2(C@@H)1CCCC2
InChI=1SC22H28N2O4Sc1271798141218(2922(26)19(14)20(17)282)21(25)2313156511241043716(15)24h89121516H37101113H212H3(H2325)t1516+m0s1
ZINC000824519334
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