Vitas-M small molecule compound

ethyl 2''-(3,4-dimethoxyphenyl)-4',6'-dioxo-2'',3''-dihydro-10b''H-dispiro[cyclohexane-1,2'-[1,3]dioxane-5',1''-pyrrolo[2,1-a]phthalazine]-3''-carboxylate

Catalog ID
STL337817
SMILES CCOC(=O)C1N2N=Cc3c(C2C2(C1c1ccc(c(c1)OC)OC)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 C30H32N2O8 MW 548.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N2O8/c1-4-38-26(33)24-23(18-12-13-21(36-2)22(16-18)37-3)30(25-20-11-7-6-10-19(20)17-31-32(24)25)27(34)39-29(40-28(30)35)14-8-5-9-15-29/h6-7,10-13,16-17,23-25H,4-5,8-9,14-15H2,1-3H3
InChIKey
GCOAZBKRJLGGAY-UHFFFAOYSA-N
Synonyms

CCOC(=O)(C@@H)1N2N=Cc3c(C2C2((C@H)1c1ccc(c(c1)OC)OC)C(=O)OC1(OC2=O)CCCCC1)cccc3
CCOC(=O)C1C(C2(C3N1N=CC4=CC=CC=C34)C(=O)OC5(CCCCC5)OC2=O)C6=CC(=C(C=C6)OC)OC
ethyl(2R3R)2(34dimethoxyphenyl)46dioxo23dihydro10bHdispiro(cyclohexane12(13)dioxane51pyrrolo(21a)phthalazine)3carboxylate
ethyl2(34dimethoxyphenyl)46dioxo23dihydro10bHdispiro(cyclohexane12(13)dioxane51pyrrolo(21a)phthalazine)3carboxylate
InChI=1SC30H32N2O8c143826(33)2423(18121321(362)22(1618)373)30(252011761019(20)173132(24)25)27(34)3929(4028(30)35)148591529h67101316172325H45891415H213H3
MFCD28032278
ZINC000002230705
ZINC000226871013

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Available files

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