Vitas-M small molecule compound
(R)-2-((1S,4R)-4-(((2S,3R)-2-((tert-butoxycarbonyl)amino)-3-methylpentanamido)methyl)cyclohexanecarboxamido)propanoic acid
Catalog ID
STL531668
SMILES CCC([C@@H](C(=O)NC[C@@H]1CC[C@H](CC1)C(=O)N[C@@H](C(=O)O)C)NC(=O)OC(C)(C)C)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 C22H39N3O6 MW 441.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H39N3O6/c1-7-13(2)17(25-21(30)31-22(4,5)6)19(27)23-12-15-8-10-16(11-9-15)18(26)24-14(3)20(28)29/h13-17H,7-12H2,1-6H3,(H,23,27)(H,24,26)(H,25,30)(H,28,29)/t13?,14-,15-,16-,17+/m1/s1InChIKey
KIDORVQUOANXCJ-UXVQCPNWSA-NSynonyms
(S)2((1S4S)4(((2S3R)2((tertbutoxycarbonyl)amino)3methylpentanamido)methyl)cyclohexanecarboxamido)propanoicacid
CCC((C@@H)(C(=O)NC(C@@H)1CC(C@H)(CC1)C(=O)N(C@H)(C(=O)O)C)NC(=O)OC(C)(C)C)C
InChI=1SC22H39N3O6c1713(2)17(2521(30)3122(45)6)19(27)23121581016(11915)18(26)2414(3)20(28)29h1317H712H216H3(H2327)(H2426)(H2530)(H2829)t13?14151617+m1s1
MFCD06764708
ZINC000252694418
ZINC000252694420
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