Vitas-M small molecule compound
ethyl (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
STK556946
SMILES CCOC(=O)[C@@H]1N2N=Cc3c(C2C2([C@H]1c1ccc(cc1)OC)C(=O)OC1(OC2=O)CCCC1)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 C28H28N2O7 MW 504.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O7/c1-3-35-24(31)22-21(17-10-12-19(34-2)13-11-17)28(23-20-9-5-4-8-18(20)16-29-30(22)23)25(32)36-27(37-26(28)33)14-6-7-15-27/h4-5,8-13,16,21-23H,3,6-7,14-15H2,1-2H3/t21-,22+,23?/m0/s1InChIKey
ACCXFIARLJRVLD-ZVTBYLAHSA-NSynonyms
CCOC(=O)(C@@H)1N2N=Cc3c(C2C2((C@H)1c1ccc(cc1)OC)C(=O)OC1(OC2=O)CCCC1)cccc3
CCOC(=O)C1C(C2(C3N1N=CC4=CC=CC=C34)C(=O)OC5(CCCC5)OC2=O)C6=CC=C(C=C6)OC
ethyl(2R3R)2(4methoxyphenyl)46dioxo23dihydro10bHdispiro(cyclopentane12(13)dioxane51pyrrolo(21a)phthalazine)3carboxylate
InChI=1SC28H28N2O7c133524(31)2221(17101219(342)131117)28(2320954818(20)162930(22)23)25(32)3627(3726(28)33)14671527h45813162123H3671415H212H3t2122+23?m0s1
ZINC000009424155
ZINC000009424156
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