Vitas-M small molecule compound
(7S)-N-((2S,3R)-1-((2-chlorobenzyl)amino)-3-methyl-1-oxopentan-2-yl)-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxamide
Catalog ID
STL530070
SMILES CCC([C@@H](C(=O)NCc1ccccc1Cl)NC(=O)[C@@H]1Cc2c(C3N1C(=O)c1c3cccc1)[nH]c1c2cccc1)C
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C32H31ClN4O3 MW 555.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31ClN4O3/c1-3-18(2)27(31(39)34-17-19-10-4-8-14-24(19)33)36-30(38)26-16-23-20-11-7-9-15-25(20)35-28(23)29-21-12-5-6-13-22(21)32(40)37(26)29/h4-15,18,26-27,29,35H,3,16-17H2,1-2H3,(H,34,39)(H,36,38)/t18?,26-,27-,29?/m0/s1InChIKey
SDTBZHHFNRFKTE-AAPCLKOYSA-NSynonyms
956147-70-9(11~(S))~(N)((2~(S))1((2chlorophenyl)methylamino)3methyl1oxopentan2yl)9oxo1020diazapentacyclo(11700^(210)0^(38)0^(1419))icosa1(13)357141618heptaene11carboxamide
(7S)N((2S3R)1((2chlorobenzyl)amino)3methyl1oxopentan2yl)5oxo781313btetrahydro5Hbenzo(12)indolizino(87b)indole7carboxamide
16405779
956147709
CCC((C@@H)(C(=O)NCc1ccccc1Cl)NC(=O)(C@@H)1Cc2c(C3N1C(=O)c1c3cccc1)(nH)c1c2cccc1)C
InChI=1SC32H31ClN4O3c1318(2)27(31(39)34171910481424(19)33)3630(38)2616232011791525(20)3528(23)292112561322(21)32(40)37(26)29h4151826272935H31617H212H3(H3439)(H3638)t18?262729?m0s1
ZINC000070705665
ZINC000070705675
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