Vitas-M small molecule compound

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

Catalog ID
STK555602
SMILES CC(=O)[C@@H]1N2N=Cc3c(C2C2([C@H]1c1ccccc1Cl)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 C24H21ClN2O5 MW 452.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21ClN2O5/c1-13(28)19-18(16-10-6-7-11-17(16)25)24(21(29)31-23(2,3)32-22(24)30)20-15-9-5-4-8-14(15)12-26-27(19)20/h4-12,18-20H,1-3H3/t18-,19-,20?/m0/s1
InChIKey
SQUBMZWIKVHZDK-NFBCFJMWSA-N
Synonyms
1212440-30-6
(2S3R)3acetyl2(2chlorophenyl)22dimethyl23dihydro10bHspiro(13dioxane51pyrrolo(21a)phthalazine)46dione
(2S3R)3acetyl2(2chlorophenyl)22dimethyl310bdihydro2Hspiro((13)dioxane51pyrrolo(21a)phthalazine)46dione
(2S3R)3acetyl2(2chlorophenyl)22dimethylspiro(13dioxane51310bdihydro2Hpyrrolo(21a)phthalazine)46dione
1212440306
CC(=O)(C@@H)1N2N=Cc3c(C2C2((C@H)1c1ccccc1Cl)C(=O)OC(OC2=O)(C)C)cccc3
CC(=O)C1C(C2(C3N1N=CC4=CC=CC=C34)C(=O)OC(OC2=O)(C)C)C5=CC=CC=C5Cl
InChI=1SC24H21ClN2O5c113(28)1918(1610671117(16)25)24(21(29)3123(23)3222(24)30)2015954814(15)122627(19)20h4121820H13H3t181920?m0s1
ZINC000009455104
ZINC000009455107

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Available files

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