Vitas-M small molecule compound
5-bromo-1'-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-5-nitrospiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
Catalog ID
STK086187
SMILES O=C1N(CN2CCN(CC2)C(c2ccccc2)c2ccccc2)c2c(C31OCC(CO3)(Br)[N+](=O)[O-])cccc2
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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 C29H29BrN4O5 MW 593.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29BrN4O5/c30-28(34(36)37)19-38-29(39-20-28)24-13-7-8-14-25(24)33(27(29)35)21-31-15-17-32(18-16-31)26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-14,26H,15-21H2InChIKey
IQVHJMKEPKLJOL-UHFFFAOYSA-NSynonyms
1((4BENZHYDRYLPIPERAZIN1YL)METHYL)5BROMO5NITROSPIRO(13DIOXANE23INDOLE)2ONE
5BROMO1((4(DIPHENYLMETHYL)PIPERAZIN1YL)METHYL)5NITROSPIRO(13DIOXANE23INDOL)2(1H)ONE
C1CN(CCN1CN2C3=CC=CC=C3C4(C2=O)OCC(CO4)((N+)(=O)(O))Br)C(C5=CC=CC=C5)C6=CC=CC=C6
InChI=1SC29H29BrN4O5c3028(34(36)37)193829(392028)2413781425(24)33(27(29)35)2131151732(181631)26(2293141022)23115261223h11426H1521H2
MFCD08680029
O=C1N(CN2CCN(CC2)C(c2ccccc2)c2ccccc2)c2c(C31OCC(CO3)(Br)(N+)(=O)(O))cccc2
STK086187
ZINC000098045130
ZINC98045130
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