Vitas-M small molecule compound
3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-[(3-methylphenyl)amino]-6H-anthra[1,9-cd][1,2]oxazol-6-one
Catalog ID
STK537642
SMILES Cc1cccc(c1)Nc1cc(N2CCN(CC2)Cc2ccc3c(c2)OCO3)c2c3c1C(=O)c1ccccc1c3on2
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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 C33H28N4O4 MW 544.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H28N4O4/c1-20-5-4-6-22(15-20)34-25-17-26(31-30-29(25)32(38)23-7-2-3-8-24(23)33(30)41-35-31)37-13-11-36(12-14-37)18-21-9-10-27-28(16-21)40-19-39-27/h2-10,15-17,34H,11-14,18-19H2,1H3InChIKey
KVVMFFKGNCYKSH-UHFFFAOYSA-NSynonyms
3(4(13benzodioxol5ylmethyl)piperazin1yl)5((3methylphenyl)amino)6Hanthra(19cd)(12)oxazol6one
3(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)5((3METHYLPHENYL)AMINO)6HANTHRA(19CD)ISOXAZOL6ONE
3(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)5(mtolylamino)6Hanthra(19cd)isoxazol6one
CC1=CC(=CC=C1)NC2=C3C4=C(C5=CC=CC=C5C3=O)ON=C4C(=C2)N6CCN(CC6)CC7=CC8=C(C=C7)OCO8
InChI=1SC33H28N4O4c12054622(1520)34251726(313029(25)32(38)23723824(23)33(30)413531)37131136(121437)18219102728(1621)40193927h210151734H11141819H21H3
MFCD02985274
ZINC000097951031
ZINC97951031
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