Vitas-M small molecule compound

bis[5-methyl-2-(propan-2-yl)cyclohexyl] (2-nitro-1-phenylethyl)phosphonate

Catalog ID
STK835636
SMILES CC1CCC(C(C1)OP(=O)(C(c1ccccc1)C[N+](=O)[O-])OC1CC(C)CCC1C(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 C28H46NO5P MW 507.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H46NO5P/c1-19(2)24-14-12-21(5)16-26(24)33-35(32,28(18-29(30)31)23-10-8-7-9-11-23)34-27-17-22(6)13-15-25(27)20(3)4/h7-11,19-22,24-28H,12-18H2,1-6H3
InChIKey
VAMMHMBTLSBKCE-UHFFFAOYSA-N
Synonyms
474879-14-6
(1BIS((5METHYL2PROPAN2YLCYCLOHEXYL)OXY)PHOSPHORYL2NITROETHYL)BENZENE
474879146
BIS(2ISOPROPYL5METHYLCYCLOHEXYL)(2NITRO1PHENYLETHYL)PHOSPHONATE
bis(5methyl2(propan2yl)cyclohexyl)(2nitro1phenylethyl)phosphonate
CC1CCC(C(C1)OP(=O)(C(C(N+)(=O)(O))C2=CC=CC=C2)OC3CC(CCC3C(C)C)C)C(C)C
CC1CCC(C(C1)OP(=O)(C(c1ccccc1)C(N+)(=O)(O))OC1CC(C)CCC1C(C)C)C(C)C
InChI=1SC28H46NO5Pc119(2)24141221(5)1626(24)3335(3228(1829(30)31)23108791123)34271722(6)131525(27)20(3)4h71119222428H1218H216H3
MFCD01949020
ZINC000008739520
ZINC000239425701

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Available files

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