Vitas-M small molecule compound
3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-(phenylamino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Catalog ID
STK535485
SMILES O=C1c2ccccc2c2c3c1c(Nc1ccccc1)cc(c3no2)N1CCN(CC1)Cc1ccc2c(c1)OCO2
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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 C32H26N4O4 MW 530.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H26N4O4/c37-31-22-8-4-5-9-23(22)32-29-28(31)24(33-21-6-2-1-3-7-21)17-25(30(29)34-40-32)36-14-12-35(13-15-36)18-20-10-11-26-27(16-20)39-19-38-26/h1-11,16-17,33H,12-15,18-19H2InChIKey
LLAFHRBKUCCUFH-UHFFFAOYSA-NSynonyms
3(4(13benzodioxol5ylmethyl)piperazin1yl)5(phenylamino)6Hanthra(19cd)(12)oxazol6one
3(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)5(phenylamino)6Hanthra(19cd)isoxazol6one
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=CC(=C5C6=C(C7=CC=CC=C7C5=O)ON=C46)NC8=CC=CC=C8
InChI=1SC32H26N4O4c373122845923(22)322928(31)24(33216213721)1725(30(29)344032)36141235(131536)182010112627(1620)39193826h111161733H12151819H2
MFCD02987443
ZINC000097951066
ZINC97951066
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