Vitas-M small molecule compound
8-methoxy-N-(3-{[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]carbamoyl}phenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Catalog ID
STL542024
SMILES COc1cc(cc2c1OCCO2)C(=O)Nc1cccc(c1)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 C27H33N3O5 MW 479.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N3O5/c1-33-23-15-20(16-24-25(23)35-13-12-34-24)27(32)29-21-8-4-6-18(14-21)26(31)28-17-19-7-5-11-30-10-3-2-9-22(19)30/h4,6,8,14-16,19,22H,2-3,5,7,9-13,17H2,1H3,(H,28,31)(H,29,32)/t19-,22+/m0/s1InChIKey
QCIPPPVAKZLFNS-SIKLNZKXSA-NSynonyms
1574404-76-4~(N)(3(((1~(S)9~(a)~(R))23467899~(a)octahydro1~(H)quinolizin1yl)methylcarbamoyl)phenyl)5methoxy23dihydro14benzodioxine7carboxamide
1574404764
71825549
8methoxyN(3((((1S9aR)octahydro1Hquinolizin1yl)methyl)carbamoyl)phenyl)23dihydrobenzo(b)(14)dioxine6carboxamide
8methoxyN(3(((1S9aR)octahydro2Hquinolizin1ylmethyl)carbamoyl)phenyl)23dihydro14benzodioxine6carboxamide
COc1cc(cc2c1OCCO2)C(=O)Nc1cccc(c1)C(=O)NC(C@@H)1CCCN2(C@@H)1CCCC2
InChI=1SC27H33N3O5c133231520(162425(23)3513123424)27(32)292184618(1421)26(31)2817197511301032922(19)30h46814161922H235791317H21H3(H2831)(H2932)t1922+m0s1
ZINC000096116482
ZINC96116482
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