Vitas-M small molecule compound
(2R,3R)-2-((1S,4R)-4-(((S)-2-((tert-butoxycarbonyl)amino)-3-phenylpropanamido)methyl)cyclohexanecarboxamido)-3-hydroxybutanoic acid
Catalog ID
STL529895
SMILES O=C(OC(C)(C)C)N[C@H](C(=O)NC[C@@H]1CC[C@H](CC1)C(=O)N[C@@H](C(=O)O)C(O)C)Cc1ccccc1
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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 C26H39N3O7 MW 505.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H39N3O7/c1-16(30)21(24(33)34)29-22(31)19-12-10-18(11-13-19)15-27-23(32)20(14-17-8-6-5-7-9-17)28-25(35)36-26(2,3)4/h5-9,16,18-21,30H,10-15H2,1-4H3,(H,27,32)(H,28,35)(H,29,31)(H,33,34)/t16?,18-,19-,20-,21+/m0/s1InChIKey
SSMKLDJJCIRAMZ-LDDDJICVSA-NSynonyms
(2S3S)2((1S4S)4(((S)2((tertbutoxycarbonyl)amino)3phenylpropanamido)methyl)cyclohexanecarboxamido)3hydroxybutanoicacid
InChI=1SC26H39N3O7c116(30)21(24(33)34)2922(31)19121018(111319)152723(32)20(14178657917)2825(35)3626(23)4h5916182130H1015H214H3(H2732)(H2835)(H2931)(H3334)t16?18192021+m0s1
MFCD06765024
O=C(OC(C)(C)C)N(C@H)(C(=O)NC(C@@H)1CC(C@H)(CC1)C(=O)N(C@H)(C(=O)O)C(O)C)Cc1ccccc1
ZINC000252694990
ZINC000252694992
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