Vitas-M small molecule compound
2,2-dimethyl-6-(3-nitrophenyl)-7a,8,9,10,11,11a-hexahydro-6H-[1,3]benzodioxolo[5,4-c]chromene
Catalog ID
STK665318
SMILES [O-][N+](=O)c1cccc(c1)C1OC2CCCCC2c2c1ccc1c2OC(O1)(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 C22H23NO5 MW 381.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23NO5/c1-22(2)27-18-11-10-16-19(21(18)28-22)15-8-3-4-9-17(15)26-20(16)13-6-5-7-14(12-13)23(24)25/h5-7,10-12,15,17,20H,3-4,8-9H2,1-2H3InChIKey
TVXJXQLIRDPFDY-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cccc(c1)C1OC2CCCCC2c2c1ccc1c2OC(O1)(C)C
22dimethyl6(3nitrophenyl)7a89101111ahexahydro6H(13)benzodioxolo(54c)chromene
22dimethyl6(3nitrophenyl)7a89101111ahexahydro6H(13)benzodioxolo(67c)chromene
CC1(OC2=C(O1)C3=C(C=C2)C(OC4C3CCCC4)C5=CC(=CC=C5)(N+)(=O)(O))C
InChI=1SC22H23NO5c122(2)271811101619(21(18)2822)15834917(15)2620(16)1365714(1213)23(24)25h571012151720H3489H212H3
MFCD09063060
ZINC000012402503
ZINC000245226365
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