Vitas-M small molecule compound
3-{[4-(4-nitrophenyl)piperazin-1-yl]carbonyl}-2H-chromen-2-one
Catalog ID
STK428440
SMILES O=C(c1cc2ccccc2oc1=O)N1CCN(CC1)c1ccc(cc1)[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 C20H17N3O5 MW 379.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O5/c24-19(17-13-14-3-1-2-4-18(14)28-20(17)25)22-11-9-21(10-12-22)15-5-7-16(8-6-15)23(26)27/h1-8,13H,9-12H2InChIKey
YOJVQLSDBWHDAK-UHFFFAOYSA-NSynonyms
3((4(4nitrophenyl)piperazin1yl)carbonyl)2Hchromen2one
3((4(4NITROPHENYL)PIPERAZINYL)CARBONYL)CHROMEN2ONE
3(4(4NITROPHENYL)PIPERAZINE1CARBONYL)CHROMEN2ONE
C1CN(CCN1C2=CC=C(C=C2)(N+)(=O)(O))C(=O)C3=CC4=CC=CC=C4OC3=O
InChI=1SC20H17N3O5c2419(171314312418(14)2820(17)25)2211921(101222)155716(8615)23(26)27h1813H912H2
MFCD01354658
O=C(c1cc2ccccc2oc1=O)N1CCN(CC1)c1ccc(cc1)(N+)(=O)(O)
ZINC000005090792
ZINC05090792
ZINC5090792
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