Vitas-M small molecule compound

(2'R,3'R)-3'-[(4-methoxyphenyl)carbonyl]-2,2-dimethyl-2'-phenyl-2',3'-dihydro-10b'H-spiro[1,3-dioxane-5,1'-pyrrolo[2,1-a]phthalazine]-4,6-dione

Catalog ID
STK555509
SMILES COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2C2([C@H]1c1ccccc1)C(=O)OC(OC2=O)(C)C)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 C30H26N2O6 MW 510.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N2O6/c1-29(2)37-27(34)30(28(35)38-29)23(18-9-5-4-6-10-18)24(25(33)19-13-15-21(36-3)16-14-19)32-26(30)22-12-8-7-11-20(22)17-31-32/h4-17,23-24,26H,1-3H3/t23-,24+,26?/m0/s1
InChIKey
OQPIGDMJUDRWFB-GPTJOGTASA-N
Synonyms
1214629-37-4
(2R3R)3((4methoxyphenyl)carbonyl)22dimethyl2phenyl23dihydro10bHspiro(13dioxane51pyrrolo(21a)phthalazine)46dione
(2R3R)3(4methoxybenzoyl)22dimethyl2phenyl310bdihydro2Hspiro((13)dioxane51pyrrolo(21a)phthalazine)46dione
(2R3R)3(4methoxybenzoyl)22dimethyl2phenylspiro(13dioxane51310bdihydro2Hpyrrolo(21a)phthalazine)46dione
1214629374
CC1(OC(=O)C2(C(C(N3C2C4=CC=CC=C4C=N3)C(=O)C5=CC=C(C=C5)OC)C6=CC=CC=C6)C(=O)O1)C
COc1ccc(cc1)C(=O)(C@@H)1N2N=Cc3c(C2C2((C@H)1c1ccccc1)C(=O)OC(OC2=O)(C)C)cccc3
InChI=1SC30H26N2O6c129(2)3727(34)30(28(35)3829)23(1895461018)24(25(33)19131521(363)161419)3226(30)2212871120(22)173132h417232426H13H3t2324+26?m0s1
ZINC000008769671
ZINC000013511236

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.