Vitas-M small molecule compound
(2'S,3'R,4R)-3'-(2,2-dimethylpropanoyl)-2'-(4-methoxyphenyl)-2-phenyl-2',3'-dihydro-10b'H-spiro[1,3-oxazole-4,1'-pyrrolo[2,1-a]phthalazin]-5-one
Catalog ID
STK557286
SMILES COc1ccc(cc1)[C@H]1[C@@H](N2C([C@@]31N=C(OC3=O)c1ccccc1)c1ccccc1C=N2)C(=O)C(C)(C)C
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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 C31H29N3O4 MW 507.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N3O4/c1-30(2,3)27(35)25-24(19-14-16-22(37-4)17-15-19)31(26-23-13-9-8-12-21(23)18-32-34(25)26)29(36)38-28(33-31)20-10-6-5-7-11-20/h5-18,24-26H,1-4H3/t24-,25+,26?,31+/m0/s1InChIKey
PMGLUWPDZIVUOU-BKTFGIEZSA-NSynonyms
1164553-77-8(1R2S3R)2(4methoxyphenyl)2phenyl3pivaloyl310bdihydro2H5Hspiro(oxazole41pyrrolo(21a)phthalazin)5one
(2S3R4R)3(22dimethylpropanoyl)2(4methoxyphenyl)2phenyl23dihydro10bHspiro(13oxazole41pyrrolo(21a)phthalazin)5one
(2S3R4R)3(22dimethylpropanoyl)2(4methoxyphenyl)2phenylspiro(13oxazole41310bdihydro2Hpyrrolo(21a)phthalazine)5one
1164553778
CC(C)(C)C(=O)C1C(C2(C3N1N=CC4=CC=CC=C34)C(=O)OC(=N2)C5=CC=CC=C5)C6=CC=C(C=C6)OC
COc1ccc(cc1)(C@H)1(C@@H)(N2C((C@@)31N=C(OC3=O)c1ccccc1)c1ccccc1C=N2)C(=O)C(C)(C)C
InChI=1SC31H29N3O4c130(23)27(35)2524(19141622(374)171519)31(262313981221(23)183234(25)26)29(36)3828(3331)20106571120h5182426H14H3t2425+26?31+m0s1
MFCD18242995
ZINC000008687168
ZINC000008687169
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.