Vitas-M small molecule compound
(2S,3R)-3-methyl-2-((S)-4-methyl-2-(4-oxo-4-(((3R,5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-3H-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-yl)oxy)butanamido)pentanamido)pentanoic acid
Catalog ID
STL532913
SMILES CCC([C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3)CC(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 C31H50N2O10 MW 610.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H50N2O10/c1-8-17(4)25(27(37)38)33-26(36)22(15-16(2)3)32-23(34)11-12-24(35)39-28-19(6)21-10-9-18(5)20-13-14-30(7)41-29(40-28)31(20,21)43-42-30/h16-22,25,28-29H,8-15H2,1-7H3,(H,32,34)(H,33,36)(H,37,38)/t17?,18-,19-,20+,21+,22+,25+,28-,29-,30-,31InChIKey
GPARBZTZAHGRDH-KDCNVGLUSA-NSynonyms
956965-52-9(2S3R)3methyl2((S)4methyl2(4oxo4(((3R5aS6R8aS9R10S12R12aR)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanamido)pentanamido)pentanoicacid
956965529
CCC((C@@H)(C(=O)O)NC(=O)(C@@H)(NC(=O)CCC(=O)O(C@@H)1O(C@@H)2O(C@@)3(C)CC(C@@H)4(C@)2((C@H)((C@H)1C)CC(C@H)4C)OO3)CC(C)C)C
InChI=1SC31H50N2O10c1817(4)25(27(37)38)3326(36)22(1516(2)3)3223(34)111224(35)392819(6)2110918(5)20131430(7)4129(4028)31(2021)434230h1622252829H815H217H3(H3234)(H3336)(H3738)t17?181920+21+22+25+28293031m1s1
MFCD07637374
ZINC000253476389
ZINC000253476390
Check stock
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Check stock on Vitas-MAvailable files
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