Vitas-M small molecule compound
pentyl 3a,8b-dihydroxy-2-methyl-4-oxo-1,3a,4,8b-tetrahydroindeno[1,2-b]pyrrole-3-carboxylate
Catalog ID
STK363127
SMILES CCCCCOC(=O)C1=C(C)NC2(C1(O)C(=O)c1c2cccc1)O
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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 C18H21NO5 MW 331.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21NO5/c1-3-4-7-10-24-16(21)14-11(2)19-18(23)13-9-6-5-8-12(13)15(20)17(14,18)22/h5-6,8-9,19,22-23H,3-4,7,10H2,1-2H3InChIKey
DBGFCVJADMMQPW-UHFFFAOYSA-NSynonyms
(3aR8bR)pentyl3a8bdihydroxy2methyl4oxo13a48btetrahydroindeno(12b)pyrrole3carboxylate
CCCCCOC(=O)C1=C(C)N(C@@)2((C@@)1(O)C(=O)c1c2cccc1)O
CCCCCOC(=O)C1=C(NC2(C1(C(=O)C3=CC=CC=C32)O)O)C
InChI=1SC18H21NO5c1347102416(21)1411(2)1918(23)13965812(13)15(20)17(1418)22h5689192223H34710H212H3
MFCD00385589
PENTYL3A8BDIHYDROXY2METHYL4OXO13A48BTETRAHYDROINDENO(12B)PYRROLE3CARBOXYLATE
PENTYL3A8BDIHYDROXY2METHYL4OXO1H3AH4H8BHINDENO(12B)PYRROLE3CARBOXYLATE
PENTYL3A8BDIHYDROXY2METHYL4OXO1HINDENO(12B)PYRROLE3CARBOXYLATE
PENTYL3A8BDIHYDROXY2METHYL4OXOINDANO(21D)2PYRROLINE3CARBOXYLATE
ZINC000002472947
ZINC000019314638
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