Vitas-M small molecule compound

(2S,3S)-3-hydroxy-2-((2S)-3-methyl-2-((7S)-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxamido)butanamido)butanoic acid

Catalog ID
STL531968
SMILES CC([C@@H](C(=O)N[C@H](C(=O)O)C(O)C)NC(=O)[C@@H]1Cc2c(C3N1C(=O)c1c3cccc1)[nH]c1c2cccc1)C

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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 C28H30N4O6 MW 518.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4O6/c1-13(2)21(26(35)31-22(14(3)33)28(37)38)30-25(34)20-12-18-15-8-6-7-11-19(15)29-23(18)24-16-9-4-5-10-17(16)27(36)32(20)24/h4-11,13-14,20-22,24,29,33H,12H2,1-3H3,(H,30,34)(H,31,35)(H,37,38)/t14?,20-,21-,22-,24?/m0/s1
InChIKey
SMEKSEYFODSNDF-WAJBCGEOSA-N
Synonyms
957020-54-1
(2~(S))3hydroxy2(((2~(S))3methyl2(((11~(S))9oxo1020diazapentacyclo(11700^(210)0^(38)0^(1419))icosa1(13)357141618heptaene11carbonyl)amino)butanoyl)amino)butanoicacid
(2S3S)3hydroxy2((2S)3methyl2((7S)5oxo781313btetrahydro5Hbenzo(12)indolizino(87b)indole7carboxamido)butanamido)butanoicacid
16404422
957020541
CC((C@@H)(C(=O)N(C@H)(C(=O)O)C(O)C)NC(=O)(C@@H)1Cc2c(C3N1C(=O)c1c3cccc1)(nH)c1c2cccc1)C
InChI=1SC28H30N4O6c113(2)21(26(35)3122(14(3)33)28(37)38)3025(34)201218158671119(15)2923(18)24169451017(16)27(36)32(20)24h41113142022242933H12H213H3(H3034)(H3135)(H3738)t14?20212224?m0s1
MFCD06767044
ZINC000016032976
ZINC000070700542

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Available files

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