Vitas-M small molecule compound
(2'S,3'R,4R)-3'-(2,2-dimethylpropanoyl)-2,2'-diphenyl-2',3'-dihydro-10b'H-spiro[1,3-oxazole-4,1'-pyrrolo[2,1-a]phthalazin]-5-one
Catalog ID
STK554995
SMILES O=C(C(C)(C)C)[C@@H]1N2N=Cc3c(C2[C@@]2([C@H]1c1ccccc1)N=C(OC2=O)c1ccccc1)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 C30H27N3O3 MW 477.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27N3O3/c1-29(2,3)26(34)24-23(19-12-6-4-7-13-19)30(25-22-17-11-10-16-21(22)18-31-33(24)25)28(35)36-27(32-30)20-14-8-5-9-15-20/h4-18,23-25H,1-3H3/t23-,24+,25?,30+/m0/s1InChIKey
ILSFKDYQNWXPHW-ZAEOCDGNSA-NSynonyms
1164506-21-1(1R2S3R)22diphenyl3pivaloyl310bdihydro2H5Hspiro(oxazole41pyrrolo(21a)phthalazin)5one
(2S3R4R)3(22dimethylpropanoyl)22diphenyl23dihydro10bHspiro(13oxazole41pyrrolo(21a)phthalazin)5one
(2S3R4R)3(22dimethylpropanoyl)22diphenylspiro(13oxazole41310bdihydro2Hpyrrolo(21a)phthalazine)5one
1164506211
CC(C)(C)C(=O)C1C(C2(C3N1N=CC4=CC=CC=C34)C(=O)OC(=N2)C5=CC=CC=C5)C6=CC=CC=C6
InChI=1SC30H27N3O3c129(23)26(34)2423(19126471319)30(25221711101621(22)183133(24)25)28(35)3627(3230)20148591520h4182325H13H3t2324+25?30+m0s1
MFCD18242835
O=C(C(C)(C)C)(C@@H)1N2N=Cc3c(C2(C@@)2((C@H)1c1ccccc1)N=C(OC2=O)c1ccccc1)cccc3
ZINC000008687166
ZINC000008687167
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.