Vitas-M small molecule compound
(2'S,3R,7a'S)-5-bromo-N-(4-methoxyphenyl)-2-oxo-1,1',2,2',5',6',7',7a'-octahydrospiro[indole-3,3'-pyrrolizine]-2'-carboxamide
Catalog ID
STK581826
SMILES COc1ccc(cc1)NC(=O)[C@H]1C[C@H]2N([C@@]31C(=O)Nc1c3cc(Br)cc1)CCC2
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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 C22H22BrN3O3 MW 456.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22BrN3O3/c1-29-16-7-5-14(6-8-16)24-20(27)18-12-15-3-2-10-26(15)22(18)17-11-13(23)4-9-19(17)25-21(22)28/h4-9,11,15,18H,2-3,10,12H2,1H3,(H,24,27)(H,25,28)/t15-,18+,22-/m0/s1InChIKey
LOJFNGAHUHAPHT-REDKUUPNSA-NSynonyms
1014043-14-1(2S3R7aS)5bromoN(4methoxyphenyl)2oxo11225677aoctahydrospiro(indole33pyrrolizine)2carboxamide
(2S3R7aS)5bromoN(4methoxyphenyl)2oxo125677ahexahydrospiro(indoline33pyrrolizine)2carboxamide
(2S3R8S)5bromoN(4methoxyphenyl)2oxospiro(125678hexahydropyrrolizine331Hindole)2carboxamide
1014043141
COC1=CC=C(C=C1)NC(=O)C2CC3CCCN3C24C5=C(C=CC(=C5)Br)NC4=O
COc1ccc(cc1)NC(=O)(C@H)1C(C@H)2N((C@@)31C(=O)Nc1c3cc(Br)cc1)CCC2
InChI=1SC22H22BrN3O3c129167514(6816)2420(27)181215321026(15)22(18)171113(23)4919(17)2521(22)28h49111518H231012H21H3(H2427)(H2528)t1518+22m0s1
MFCD08284654
ZINC000057105870
ZINC57105870
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