Vitas-M small molecule compound
(4aR,8bS)-4a,8b-dihydro-2H-1,4-dioxa-8c-azapentaleno[1,6-ab]inden-2a(3H)-ylmethanol
Catalog ID
STK835220
SMILES OCC12CO[C@@H]3N2[C@H](OC1)c1c3cccc1
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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 C12H13NO3 MW 219.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13NO3/c14-5-12-6-15-10-8-3-1-2-4-9(8)11(13(10)12)16-7-12/h1-4,10-11,14H,5-7H2/t10-,11+,12?InChIKey
KBEWMKWVRLHQLS-FOSCPWQOSA-NSynonyms
((4aR8bS)2a34a8btetrahydro2H14dioxa2a1azapentaleno(16ab)inden2ayl)methanol
(4aR8bS)4a8bdihydro2H14dioxa8cazapentaleno(16ab)inden2a(3H)ylmethanol
C1C2(COC3N2C(O1)C4=CC=CC=C34)CO
InChI=1SC12H13NO3c1451261510831249(8)11(13(10)12)16712h14101114H57H2t1011+12?
MFCD01547505
OCC12CO(C@@H)3N2(C@H)(OC1)c1c3cccc1
ZINC000244701155
ZINC000245255660
ZINC19537219
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