Vitas-M small molecule compound
2-(2-{4-[(3,4-dimethoxyphenyl)carbonyl]piperazin-1-yl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STK807355
SMILES COc1cc(ccc1OC)C(=O)N1CCN(CC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3
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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 C27H27N3O5 MW 473.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O5/c1-34-22-10-9-19(17-23(22)35-2)25(31)29-14-11-28(12-15-29)13-16-30-26(32)20-7-3-5-18-6-4-8-21(24(18)20)27(30)33/h3-10,17H,11-16H2,1-2H3InChIKey
XHADKAZGMUCQAK-UHFFFAOYSA-NSynonyms
2(2(4((34dimethoxyphenyl)carbonyl)piperazin1yl)ethyl)1Hbenzo(de)isoquinoline13(2H)dione
2(2(4(34DIMETHOXYBENZOYL)PIPERAZIN1YL)ETHYL)BENZO(DE)ISOQUINOLINE13DIONE
COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)OC
InChI=1SC27H27N3O5c1342210919(1723(22)352)25(31)29141128(121529)13163026(32)207351864821(24(18)20)27(30)33h31017H1116H212H3
MFCD04219071
ZINC000015441298
ZINC15441298
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