Vitas-M small molecule compound
8-methoxy-6-nitro-3-{[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)piperazin-1-yl]carbonyl}-2H-chromen-2-one
Catalog ID
STK686526
SMILES COc1cc(cc2c1oc(=O)c(c2)C(=O)N1CCN(CC1)C12CC3CC(C2)CC(C1)C3)[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 C25H29N3O6 MW 467.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O6/c1-33-21-11-19(28(31)32)9-18-10-20(24(30)34-22(18)21)23(29)26-2-4-27(5-3-26)25-12-15-6-16(13-25)8-17(7-15)14-25/h9-11,15-17H,2-8,12-14H2,1H3InChIKey
YZEPJHZGBUBTLJ-UHFFFAOYSA-NSynonyms
3(4(1ADAMANTYL)PIPERAZINE1CARBONYL)8METHOXY6NITROCHROMEN2ONE
8methoxy6nitro3((4(tricyclo(3311~37~)dec1yl)piperazin1yl)carbonyl)2Hchromen2one
COC1=C2C(=CC(=C1)(N+)(=O)(O))C=C(C(=O)O2)C(=O)N3CCN(CC3)C45CC6CC(C4)CC(C6)C5
COc1cc(cc2c1oc(=O)c(c2)C(=O)N1CCN(CC1)C12CC3CC(C2)CC(C1)C3)(N+)(=O)(O)
InChI=1SC25H29N3O6c133211119(28(31)32)9181020(24(30)3422(18)21)23(29)262427(5326)251215616(1325)817(715)1425h9111517H281214H21H3
MFCD06016099
ZINC000012418922
ZINC12418922
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