Vitas-M small molecule compound
2-(3-methoxyphenyl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Catalog ID
STL539124
SMILES COc1cccc(c1)n1cc(C(=O)NC[C@@H]2CCCN3[C@@H]2CCCC3)c2c(c1=O)cccc2
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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 C27H31N3O3 MW 445.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O3/c1-33-21-10-6-9-20(16-21)30-18-24(22-11-2-3-12-23(22)27(30)32)26(31)28-17-19-8-7-15-29-14-5-4-13-25(19)29/h2-3,6,9-12,16,18-19,25H,4-5,7-8,13-15,17H2,1H3,(H,28,31)/t19-,25+/m0/s1InChIKey
OODMIDWEPSGBEZ-UQBPGWFLSA-NSynonyms
~(N)(((1~(S)9~(a)~(R))23467899~(a)octahydro1~(H)quinolizin1yl)methyl)2(3methoxyphenyl)1oxoisoquinoline4carboxamide
2(3methoxyphenyl)N(((1S9aR)octahydro1Hquinolizin1yl)methyl)1oxo12dihydroisoquinoline4carboxamide
2(3methoxyphenyl)N((1S9aR)octahydro2Hquinolizin1ylmethyl)1oxo12dihydroisoquinoline4carboxamide
71754223
COc1cccc(c1)n1cc(C(=O)NC(C@@H)2CCCN3(C@@H)2CCCC3)c2c(c1=O)cccc2
InChI=1SC27H31N3O3c13321106920(1621)301824(2211231223(22)27(30)32)26(31)28171987152914541325(19)29h23691216181925H4578131517H21H3(H2831)t1925+m0s1
ZINC000085874814
ZINC85874814
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