Vitas-M small molecule compound
N-(4-oxo-4-{[(5aS,6R,12S)-3,6,9-trimethyldecahydro-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-yl]oxy}butanoyl)leucylvaline
Catalog ID
STL533866
SMILES CC(CC(C(=O)NC(C(=O)O)C(C)C)NC(=O)CCC(=O)OC1O[C@H]2OC3(C)CC[C@@H]4C2(C(C1C)CC[C@H]4C)OO3)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 C30H48N2O10 MW 596.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H48N2O10/c1-15(2)14-21(25(35)32-24(16(3)4)26(36)37)31-22(33)10-11-23(34)38-27-18(6)20-9-8-17(5)19-12-13-29(7)40-28(39-27)30(19,20)42-41-29/h15-21,24,27-28H,8-14H2,1-7H3,(H,31,33)(H,32,35)(H,36,37)/t17-,18?,19+,20?,21?,24?,27?,28+,29?,30?/m1/s1InChIKey
JJGPCGCYAFOOBW-POMPDZNHSA-NSynonyms
(S)3methyl2((S)4methyl2(4oxo4(((3R5aS6R8aS9R10S12R12aR)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanamido)pentanamido)butanoicacid
3methyl2((4methyl2((4oxo4(((4~(S)5~(R)12~(S))159trimethyl11141516tetraoxatetracyclo(10310^(413)0^(813))hexadecan10yl)oxy)butanoyl)amino)pentanoyl)amino)butanoicacid
44666832
CC(C(C@@H)(C(=O)N(C@H)(C(=O)O)C(C)C)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)C
InChI=1SC30H48N2O10c115(2)1421(25(35)3224(16(3)4)26(36)37)3122(33)101123(34)382718(6)209817(5)19121329(7)4028(3927)30(1920)424129h1521242728H814H217H3(H3133)(H3235)(H3637)t1718?19+20?21?24?27?28+29?30?m1s1
MFCD07794502
N(4oxo4(((5aS6R12S)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanoyl)leucylvaline
ZINC000229659143
ZINC000253487375
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