Vitas-M small molecule compound
3a-(2-methoxypropan-2-yl)-2-(propan-2-yl)octahydro[1,2]oxazolo[2,3-a]benzimidazole-2,4(2H)-diol
Catalog ID
STL059227
SMILES COC(C12CC(ON1C1C(N2O)CCCC1)(O)C(C)C)(C)C
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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 C16H30N2O4 MW 314.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H30N2O4/c1-11(2)15(19)10-16(14(3,4)21-5)17(20)12-8-6-7-9-13(12)18(16)22-15/h11-13,19-20H,6-10H2,1-5H3InChIKey
GGJKFZVMDVVRRE-UHFFFAOYSA-NSynonyms
(2S3AR4AS8AR)3A(2METHOXYPROPAN2YL)2(PROPAN2YL)OCTAHYDRO(12)OXAZOLO(23A)BENZIMIDAZOLE24(2H)DIOL
(3aS4aR8aS)2isopropyl3a(2methoxypropan2yl)octahydrobenzo(45)imidazo(12b)isoxazole24(2H)diol
3a(2methoxypropan2yl)2(propan2yl)octahydro(12)oxazolo(23a)benzimidazole24(2H)diol
4hydroxy3a(2methoxypropan2yl)2propan2yl4a56788ahexahydro3H(12)oxazolo(23a)benzimidazol2ol
CC(C)C1(CC2(N(C3CCCCC3N2O1)O)C(C)(C)OC)O
COC((C@)12CC(ON1(C@@H)1C(N2O)CCCC1)(O)C(C)C)(C)C
InChI=1SC16H30N2O4c111(2)15(19)1016(14(34)215)17(20)12867913(12)18(16)2215h11131920H610H215H3
MFCD00299973
ZINC000004812135
ZINC000245245706
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