Vitas-M small molecule compound
(2''R,3''R)-3''-acetyl-2''-(4-nitrophenyl)-2'',3''-dihydro-10b''H-dispiro[cyclohexane-1,2'-[1,3]dioxane-5',1''-pyrrolo[2,1-a]phthalazine]-4',6'-dione
Catalog ID
STK554914
SMILES CC(=O)[C@@H]1N2N=Cc3c(C2C2([C@H]1c1ccc(cc1)[N+](=O)[O-])C(=O)OC1(OC2=O)CCCCC1)cccc3
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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 C27H25N3O7 MW 503.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O7/c1-16(31)22-21(17-9-11-19(12-10-17)30(34)35)27(23-20-8-4-3-7-18(20)15-28-29(22)23)24(32)36-26(37-25(27)33)13-5-2-6-14-26/h3-4,7-12,15,21-23H,2,5-6,13-14H2,1H3/t21-,22-,23?/m0/s1InChIKey
JIGVEQQMTIIMLE-OJSMNCEXSA-NSynonyms
1013804-03-9(2R3R)3acetyl2(4nitrophenyl)23dihydro10bHdispiro(cyclohexane12(13)dioxane51pyrrolo(21a)phthalazine)46dione
1013804039
CC(=O)(C@@H)1N2N=Cc3c(C2C2((C@H)1c1ccc(cc1)(N+)(=O)(O))C(=O)OC1(OC2=O)CCCCC1)cccc3
CC(=O)C1C(C2(C3N1N=CC4=CC=CC=C34)C(=O)OC5(CCCCC5)OC2=O)C6=CC=C(C=C6)(N+)(=O)(O)
InChI=1SC27H25N3O7c116(31)2221(1791119(121017)30(34)35)27(2320843718(20)152829(22)23)24(32)3626(3725(27)33)135261426h34712152123H2561314H21H3t212223?m0s1
ZINC000001865689
ZINC000009463471
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