Vitas-M small molecule compound

(7S)-N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxamide

Catalog ID
STL531691
SMILES O=C([C@@H](NC(=O)[C@@H]1Cc2c(C3N1C(=O)c1c3cccc1)[nH]c1c2cccc1)C)NC1CCCC1

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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 C27H28N4O3 MW 456.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O3/c1-15(25(32)29-16-8-2-3-9-16)28-26(33)22-14-20-17-10-6-7-13-21(17)30-23(20)24-18-11-4-5-12-19(18)27(34)31(22)24/h4-7,10-13,15-16,22,24,30H,2-3,8-9,14H2,1H3,(H,28,33)(H,29,32)/t15-,22-,24?/m0/s1
InChIKey
IMBCMHLXBQMPBI-UGSMRSPNSA-N
Synonyms
956622-74-5
(11~(S))~(N)((2~(S))1(cyclopentylamino)1oxopropan2yl)9oxo1020diazapentacyclo(11700^(210)0^(38)0^(1419))icosa1(13)357141618heptaene11carboxamide
(7S)N((2S)1(cyclopentylamino)1oxopropan2yl)5oxo781313btetrahydro5Hbenzo(12)indolizino(87b)indole7carboxamide
(7S)N((S)1(cyclopentylamino)1oxopropan2yl)5oxo781313btetrahydro5Hbenzo(12)indolizino(87b)indole7carboxamide
16405386
956622745
InChI=1SC27H28N4O3c115(25(32)2916823916)2826(33)2214201710671321(17)3023(20)241811451219(18)27(34)31(22)24h4710131516222430H238914H21H3(H2833)(H2932)t152224?m0s1
MFCD06770355
O=C((C@@H)(NC(=O)(C@@H)1Cc2c(C3N1C(=O)c1c3cccc1)(nH)c1c2cccc1)C)NC1CCCC1
ZINC000012887862
ZINC000012887865

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Available files

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