Vitas-M small molecule compound
2''-(4-methoxyphenyl)-3''-[(4-methoxyphenyl)carbonyl]-2'',3''-dihydro-10b''H-dispiro[cyclohexane-1,2'-[1,3]dioxane-5',1''-pyrrolo[2,1-a]phthalazine]-4',6'-dione
Catalog ID
STL042056
SMILES COc1ccc(cc1)C1C(C(=O)c2ccc(cc2)OC)N2C(C31C(=O)OC1(OC3=O)CCCCC1)c1ccccc1C=N2
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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 C34H32N2O7 MW 580.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H32N2O7/c1-40-24-14-10-21(11-15-24)27-28(29(37)22-12-16-25(41-2)17-13-22)36-30(26-9-5-4-8-23(26)20-35-36)34(27)31(38)42-33(43-32(34)39)18-6-3-7-19-33/h4-5,8-17,20,27-28,30H,3,6-7,18-19H2,1-2H3InChIKey
WHUKKPSUFZCUEL-UHFFFAOYSA-NSynonyms
(2R3R)3(4methoxybenzoyl)2(4methoxyphenyl)23dihydro10bHdispiro(cyclohexane12(13)dioxane51pyrrolo(21a)phthalazine)46dione
2(4methoxyphenyl)3((4methoxyphenyl)carbonyl)23dihydro10bHdispiro(cyclohexane12(13)dioxane51pyrrolo(21a)phthalazine)46dione
COC1=CC=C(C=C1)C2C(N3C(C24C(=O)OC5(CCCCC5)OC4=O)C6=CC=CC=C6C=N3)C(=O)C7=CC=C(C=C7)OC
COc1ccc(cc1)(C@H)1(C@H)(C(=O)c2ccc(cc2)OC)N2C(C31C(=O)OC1(OC3=O)CCCCC1)c1ccccc1C=N2
InChI=1SC34H32N2O7c14024141021(111524)2728(29(37)22121625(412)171322)3630(26954823(26)203536)34(27)31(38)4233(4332(34)39)186371933h4581720272830H3671819H212H3
MFCD05730338
ZINC000102870655
ZINC000227071284
Check stock
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Check stock on Vitas-MAvailable files
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