Vitas-M small molecule compound
1-[(2xi,3beta,15beta,16xi,20xi)-curan-1-yl]ethanone
Catalog ID
STL525998
SMILES CCC1CN2CC[C@@]34[C@H]2C[C@H]1C(C)C3N(C(=O)C)c1c4cccc1
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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 C21H28N2O MW 324.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N2O/c1-4-15-12-22-10-9-21-17-7-5-6-8-18(17)23(14(3)24)20(21)13(2)16(15)11-19(21)22/h5-8,13,15-16,19-20H,4,9-12H2,1-3H3/t13?,15?,16-,19+,20?,21+/m0/s1InChIKey
XGMPQFYSSHFZTA-AASIPLRWSA-NSynonyms
1((1~(R)11~(R)17~(R))12ethyl10methyl814diazapentacyclo(9520^(19)0^(27)0^(1417))octadeca246trien8yl)ethanone
1((2xi3beta15beta16xi20xi)curan1yl)ethanone
1((3aS5S6S6aS11bR12S)12ethyl6methyl124566ahexahydro53ethanopyrrolo(23d)carbazol7(3aH)yl)ethanone
135639111
CC(C@@H)1CN2CC(C@@)34(C@@H)2C(C@@H)1(C@H)(C)(C@@H)3N(C(=O)C)c1c4cccc1
InChI=1SC21H28N2Oc141512221092117756818(17)23(14(3)24)20(21)13(2)16(15)1119(21)22h581315161920H4912H213H3t13?15?1619+20?21+m0s1
MFCD02184441
ZINC001772492114
ZINC001772492117
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