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)leucylglutamic acid
Catalog ID
STL534592
SMILES CC(CC(C(=O)NC(C(=O)O)CCC(=O)O)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 C30H46N2O12 MW 626.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H46N2O12/c1-15(2)14-21(25(37)32-20(26(38)39)8-10-23(34)35)31-22(33)9-11-24(36)40-27-17(4)19-7-6-16(3)18-12-13-29(5)42-28(41-27)30(18,19)44-43-29/h15-21,27-28H,6-14H2,1-5H3,(H,31,33)(H,32,37)(H,34,35)(H,38,39)/t16-,17?,18+,19?,20?,21?,27?,28+,2InChIKey
ZNCAZWQQDGNIAR-NJTBHXKPSA-NSynonyms
(S)2((S)4methyl2(4oxo4(((3R5aS6R8aS9R10S12R12aR)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanamido)pentanamido)pentanedioicacid
2((4methyl2((4oxo4(((4~(S)5~(R)12~(S))159trimethyl11141516tetraoxatetracyclo(10310^(413)0^(813))hexadecan10yl)oxy)butanoyl)amino)pentanoyl)amino)pentanedioicacid
44666798
CC(C(C@@H)(C(=O)N(C@H)(C(=O)O)CCC(=O)O)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=1SC30H46N2O12c115(2)1421(25(37)3220(26(38)39)81023(34)35)3122(33)91124(36)402717(4)197616(3)18121329(5)4228(4127)30(1819)444329h15212728H614H215H3(H3133)(H3237)(H3435)(H3839)t1617?18+19?20?21?27?28+29?30?m1s1
MFCD07794144
N(4oxo4(((5aS6R12S)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanoyl)leucylglutamicacid
ZINC000229657853
ZINC000253488205
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