Vitas-M small molecule compound
N-{4-[(4-oxo-4-{[(5aS,6R,12S)-3,6,9-trimethyldecahydro-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-yl]oxy}butanoyl)amino]butanoyl}isoleucine
Catalog ID
STL532284
SMILES CCC(C(C(=O)O)NC(=O)CCCNC(=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 C29H46N2O10 MW 582.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H46N2O10/c1-6-16(2)24(25(35)36)31-22(33)8-7-15-30-21(32)11-12-23(34)37-26-18(4)20-10-9-17(3)19-13-14-28(5)39-27(38-26)29(19,20)41-40-28/h16-20,24,26-27H,6-15H2,1-5H3,(H,30,32)(H,31,33)(H,35,36)/t16?,17-,18?,19+,20?,24?,26?,27+,28?,29?/m1/s1InChIKey
MKLSGYFZQOELAG-GCLPMJKTSA-NSynonyms
16405308
3methyl2(4((4oxo4(((4~(S)5~(R)12~(S))159trimethyl11141516tetraoxatetracyclo(10310^(413)0^(813))hexadecan10yl)oxy)butanoyl)amino)butanoylamino)pentanoicacid
3methyl2(4(4oxo4(((5aS6R12S)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanamido)butanamido)pentanoicacid
CCC(C(C(=O)O)NC(=O)CCCNC(=O)CCC(=O)OC1O(C@H)2OC3(C)CC(C@@H)4C2(C(C1C)CC(C@H)4C)OO3)C
InChI=1SC29H46N2O10c1616(2)24(25(35)36)3122(33)87153021(32)111223(34)372618(4)2010917(3)19131428(5)3927(3826)29(1920)414028h1620242627H615H215H3(H3032)(H3133)(H3536)t16?1718?19+20?24?26?27+28?29?m1s1
MFCD06769980
N(4((4oxo4(((5aS6R12S)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanoyl)amino)butanoyl)isoleucine
ZINC000229977883
ZINC000253387646
Check stock
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Check stock on Vitas-MAvailable files
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