Vitas-M small molecule compound
N-(3-{[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]carbamoyl}phenyl)-1,3-benzodioxole-5-carboxamide
Catalog ID
STL541161
SMILES O=C(c1cccc(c1)NC(=O)c1ccc2c(c1)OCO2)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 C25H29N3O4 MW 435.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O4/c29-24(26-15-19-6-4-12-28-11-2-1-8-21(19)28)17-5-3-7-20(13-17)27-25(30)18-9-10-22-23(14-18)32-16-31-22/h3,5,7,9-10,13-14,19,21H,1-2,4,6,8,11-12,15-16H2,(H,26,29)(H,27,30)/t19-,21+/m0/s1InChIKey
CSAGMPTYWVZKMS-PZJWPPBQSA-NSynonyms
1574321-35-9~(N)(3(((1~(S)9~(a)~(R))23467899~(a)octahydro1~(H)quinolizin1yl)methylcarbamoyl)phenyl)13benzodioxole5carboxamide
1574321359
71825527
InChI=1SC25H29N3O4c2924(2615196412281121821(19)28)1753720(1317)2725(30)189102223(1418)32163122h35791013141921H1246811121516H2(H2629)(H2730)t1921+m0s1
N(3((((1S9aR)octahydro1Hquinolizin1yl)methyl)carbamoyl)phenyl)benzo(d)(13)dioxole5carboxamide
N(3(((1S9aR)octahydro2Hquinolizin1ylmethyl)carbamoyl)phenyl)13benzodioxole5carboxamide
O=C(c1cccc(c1)NC(=O)c1ccc2c(c1)OCO2)NC(C@@H)1CCCN2(C@@H)1CCCC2
ZINC000096116497
ZINC96116497
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