Vitas-M small molecule compound
(7S)-N-[(2S)-1-[(4-fluorobenzyl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl]-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxamide
Catalog ID
STL530904
SMILES CSCC[C@@H](C(=O)NCc1ccc(cc1)F)NC(=O)[C@@H]1Cc2c(C3N1C(=O)c1c3cccc1)[nH]c1c2cccc1
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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 C31H29FN4O3S MW 556.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29FN4O3S/c1-40-15-14-25(29(37)33-17-18-10-12-19(32)13-11-18)35-30(38)26-16-23-20-6-4-5-9-24(20)34-27(23)28-21-7-2-3-8-22(21)31(39)36(26)28/h2-13,25-26,28,34H,14-17H2,1H3,(H,33,37)(H,35,38)/t25-,26-,28?/m0/s1InChIKey
ADBKURPRMMIONT-QIELNMHASA-NSynonyms
956965-19-8(11~(S))~(N)((2~(S))1((4fluorophenyl)methylamino)4methylsulfanyl1oxobutan2yl)9oxo1020diazapentacyclo(11700^(210)0^(38)0^(1419))icosa1(13)357141618heptaene11carboxamide
(7S)N((2S)1((4fluorobenzyl)amino)4(methylsulfanyl)1oxobutan2yl)5oxo781313btetrahydro5Hbenzo(12)indolizino(87b)indole7carboxamide
(7S)N((S)1((4fluorobenzyl)amino)4(methylthio)1oxobutan2yl)5oxo781313btetrahydro5Hbenzo(12)indolizino(87b)indole7carboxamide
16405841
956965198
CSCC(C@@H)(C(=O)NCc1ccc(cc1)F)NC(=O)(C@@H)1Cc2c(C3N1C(=O)c1c3cccc1)(nH)c1c2cccc1
InChI=1SC31H29FN4O3Sc140151425(29(37)331718101219(32)131118)3530(38)26162320645924(20)3427(23)2821723822(21)31(39)36(26)28h21325262834H1417H21H3(H3337)(H3538)t252628?m0s1
MFCD07207446
ZINC000070705959
ZINC000070705961
Check stock
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Check stock on Vitas-MAvailable files
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