Vitas-M small molecule compound
1'-(2-chlorobenzyl)-5-(hydroxymethyl)-5-nitrospiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
Catalog ID
STK781480
SMILES OCC1(COC2(OC1)c1ccccc1N(C2=O)Cc1ccccc1Cl)[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 C19H17ClN2O6 MW 404.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17ClN2O6/c20-15-7-3-1-5-13(15)9-21-16-8-4-2-6-14(16)19(17(21)24)27-11-18(10-23,12-28-19)22(25)26/h1-8,23H,9-12H2InChIKey
PBEOVCQRGJUAMZ-UHFFFAOYSA-NSynonyms
1((2CHLOROPHENYL)METHYL)5(HYDROXYMETHYL)5NITROSPIRO(13DIOXANE23INDOLE)2ONE
1(2chlorobenzyl)5(hydroxymethyl)5nitrospiro(13dioxane23indol)2(1H)one
C1C(COC2(O1)C3=CC=CC=C3N(C2=O)CC4=CC=CC=C4Cl)(CO)(N+)(=O)(O)
InChI=1SC19H17ClN2O6c2015731513(15)92116842614(16)19(17(21)24)271118(1023122819)22(25)26h1823H912H2
MFCD06015144
OCC1(COC2(OC1)c1ccccc1N(C2=O)Cc1ccccc1Cl)(N+)(=O)(O)
ZINC000004721819
ZINC04721819
ZINC4721819
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