Vitas-M small molecule compound
2-(4-nitrophenyl)-4-(pentan-3-yl)hexahydro-4H-1,3-benzodioxine
Catalog ID
STK734220
SMILES CCC(C1OC(OC2C1CCCC2)c1ccc(cc1)[N+](=O)[O-])CC
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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 C19H27NO4 MW 333.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H27NO4/c1-3-13(4-2)18-16-7-5-6-8-17(16)23-19(24-18)14-9-11-15(12-10-14)20(21)22/h9-13,16-19H,3-8H2,1-2H3InChIKey
JZAOGXMHBXOVBR-UHFFFAOYSA-NSynonyms
2(4nitrophenyl)4(pentan3yl)hexahydro4H13benzodioxine
2(4nitrophenyl)4pentan3yl4a56788ahexahydro4Hbenzo(d)(13)dioxine
4(1ETHYLPROPYL)2(4NITROPHENYL)HEXAHYDRO4H13BENZODIOXINE
4H13BENZODIOXIN4(1ETHYLPROPYL)HEXAHYDRO2(4NITROPHENYL)
4H13BENZODIOXINEHEXAHYDRO4(1ETHYLPROPYL)2(4NITROPHENYL)
CCC(C1OC(OC2C1CCCC2)c1ccc(cc1)(N+)(=O)(O))CC
CCC(CC)C1C2CCCCC2OC(O1)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC19H27NO4c1313(42)1816756817(16)2319(2418)1491115(121014)20(21)22h9131619H38H212H3
MFCD02612784
ZINC000015219104
ZINC000242543375
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