Vitas-M small molecule compound
tert-butyl (2''R,3''R)-2''-(4-methoxyphenyl)-4',6'-dioxo-2'',3''-dihydro-10b''H-dispiro[cyclopentane-1,2'-[1,3]dioxane-5',1''-pyrrolo[2,1-a]phthalazine]-3''-carboxylate
Catalog ID
STK558639
SMILES COc1ccc(cc1)[C@H]1[C@H](C(=O)OC(C)(C)C)N2C(C31C(=O)OC1(OC3=O)CCCC1)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 C30H32N2O7 MW 532.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N2O7/c1-28(2,3)37-25(33)23-22(18-11-13-20(36-4)14-12-18)30(24-21-10-6-5-9-19(21)17-31-32(23)24)26(34)38-29(39-27(30)35)15-7-8-16-29/h5-6,9-14,17,22-24H,7-8,15-16H2,1-4H3/t22-,23+,24?/m0/s1InChIKey
GSAQJZFDXUTOOQ-XAGPSQNTSA-NSynonyms
CC(C)(C)OC(=O)C1C(C2(C3N1N=CC4=CC=CC=C34)C(=O)OC5(CCCC5)OC2=O)C6=CC=C(C=C6)OC
COc1ccc(cc1)(C@H)1(C@H)(C(=O)OC(C)(C)C)N2C(C31C(=O)OC1(OC3=O)CCCC1)c1ccccc1C=N2
InChI=1SC30H32N2O7c128(23)3725(33)2322(18111320(364)141218)30(24211065919(21)173132(23)24)26(34)3829(3927(30)35)15781629h56914172224H781516H214H3t2223+24?m0s1
tertbutyl(2R3R)2(4methoxyphenyl)46dioxo23dihydro10bHdispiro(cyclopentane12(13)dioxane51pyrrolo(21a)phthalazine)3carboxylate
ZINC000101089354
ZINC000101089358
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