Vitas-M small molecule compound
(2''R,3''R)-3''-acetyl-2''-(4-methoxyphenyl)-2'',3''-dihydro-10b''H-dispiro[cyclohexane-1,2'-[1,3]dioxane-5',1''-pyrrolo[2,1-a]phthalazine]-4',6'-dione
Catalog ID
STK558692
SMILES COc1ccc(cc1)[C@H]1[C@H](C(=O)C)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 C28H28N2O6 MW 488.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O6/c1-17(31)23-22(18-10-12-20(34-2)13-11-18)28(24-21-9-5-4-8-19(21)16-29-30(23)24)25(32)35-27(36-26(28)33)14-6-3-7-15-27/h4-5,8-13,16,22-24H,3,6-7,14-15H2,1-2H3/t22-,23-,24?/m0/s1InChIKey
UBLRDIGEMYETJU-NTZARQNWSA-NSynonyms
1014102-70-5(2R3R)3acetyl2(4methoxyphenyl)23dihydro10bHdispiro(cyclohexane12(13)dioxane51pyrrolo(21a)phthalazine)46dione
1014102705
CC(=O)C1C(C2(C3N1N=CC4=CC=CC=C34)C(=O)OC5(CCCCC5)OC2=O)C6=CC=C(C=C6)OC
COc1ccc(cc1)(C@H)1(C@H)(C(=O)C)N2C(C31C(=O)OC1(OC3=O)CCCCC1)c1ccccc1C=N2
InChI=1SC28H28N2O6c117(31)2322(18101220(342)131118)28(2421954819(21)162930(23)24)25(32)3527(3626(28)33)146371527h45813162224H3671415H212H3t222324?m0s1
ZINC000009191517
ZINC000009191518
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