Vitas-M small molecule compound
1'-[(4-benzylpiperazin-1-yl)methyl]-5-(hydroxymethyl)-5-nitrospiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
Catalog ID
STK677347
SMILES OCC1(COC2(OC1)C(=O)N(c1c2cccc1)CN1CCN(CC1)Cc1ccccc1)[N+](=O)[O-]
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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 C24H28N4O6 MW 468.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N4O6/c29-15-23(28(31)32)16-33-24(34-17-23)20-8-4-5-9-21(20)27(22(24)30)18-26-12-10-25(11-13-26)14-19-6-2-1-3-7-19/h1-9,29H,10-18H2InChIKey
PBOKRZHQJBENGK-UHFFFAOYSA-NSynonyms
1((4benzylpiperazin1yl)methyl)5(hydroxymethyl)5nitrospiro(13dioxane23indol)2(1H)one
1((4BENZYLPIPERAZIN1YL)METHYL)5(HYDROXYMETHYL)5NITROSPIRO(13DIOXANE23INDOLE)2ONE
5(HYDROXYMETHYL)5NITRO7((4BENZYLPIPERAZINYL)METHYL)SPIRO(13DIOXANE23INDOLINE)8ONE
C1CN(CCN1CC2=CC=CC=C2)CN3C4=CC=CC=C4C5(C3=O)OCC(CO5)(CO)(N+)(=O)(O)
InChI=1SC24H28N4O6c291523(28(31)32)163324(341723)20845921(20)27(22(24)30)1826121025(111326)14196213719h1929H1018H2
MFCD02852870
OCC1(COC2(OC1)C(=O)N(c1c2cccc1)CN1CCN(CC1)Cc1ccccc1)(N+)(=O)(O)
ZINC000012376420
ZINC12376420
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