Vitas-M small molecule compound
3-[(4-{4-[(3-methylphenyl)amino]phthalazin-1-yl}phenyl)carbonyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STK997918
SMILES Cc1cccc(c1)Nc1nnc(c2c1cccc2)c1ccc(cc1)C(=O)N1CC2CC(C1)c1n(C2)c(=O)ccc1
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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 C33H29N5O2 MW 527.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29N5O2/c1-21-6-4-7-26(16-21)34-32-28-9-3-2-8-27(28)31(35-36-32)23-12-14-24(15-13-23)33(40)37-18-22-17-25(20-37)29-10-5-11-30(39)38(29)19-22/h2-16,22,25H,17-20H2,1H3,(H,34,36)InChIKey
ULXSBKOKTHSOTH-UHFFFAOYSA-NSynonyms
(1R5S)3(4(4(mtolylamino)phthalazin1yl)benzoyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
3((4(4((3methylphenyl)amino)phthalazin1yl)phenyl)carbonyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
CC1=CC(=CC=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)C(=O)N5CC6CC(C5)C7=CC=CC(=O)N7C6
Cc1cccc(c1)Nc1nnc(c2c1cccc2)c1ccc(cc1)C(=O)N1C(C@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC33H29N5O2c12164726(1621)343228932827(28)31(353632)23121424(151323)33(40)3718221725(2037)291051130(39)38(29)1922h2162225H1720H21H3(H3436)
MFCD03000112
ZINC000015990071
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