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}alanine

Catalog ID
STL532897
SMILES O=C(CCC(=O)OC1O[C@H]2OC3(C)CC[C@@H]4C2(C(C1C)CC[C@H]4C)OO3)NCCCC(=O)NC(C(=O)O)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 C26H40N2O10 MW 540.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H40N2O10/c1-14-7-8-18-15(2)23(35-24-26(18)17(14)11-12-25(4,36-24)37-38-26)34-21(31)10-9-19(29)27-13-5-6-20(30)28-16(3)22(32)33/h14-18,23-24H,5-13H2,1-4H3,(H,27,29)(H,28,30)(H,32,33)/t14-,15?,16?,17+,18?,23?,24+,25?,26?/m1/s1
InChIKey
UCDRKXWQRLXPTM-BTEINLRBSA-N
Synonyms

16404883
2(4((4oxo4(((4~(S)5~(R)12~(S))159trimethyl11141516tetraoxatetracyclo(10310^(413)0^(813))hexadecan10yl)oxy)butanoyl)amino)butanoylamino)propanoicacid
2(4(4oxo4(((5aS6R12S)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanamido)butanamido)propanoicacid
InChI=1SC26H40N2O10c114781815(2)23(352426(18)17(14)111225(43624)373826)3421(31)10919(29)27135620(30)2816(3)22(32)33h14182324H513H214H3(H2729)(H2830)(H3233)t1415?16?17+18?23?24+25?26?m1s1
MFCD06768348
N(4((4oxo4(((5aS6R12S)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanoyl)amino)butanoyl)alanine
O=C(CCC(=O)OC1O(C@H)2OC3(C)CC(C@@H)4C2(C(C1C)CC(C@H)4C)OO3)NCCCC(=O)NC(C(=O)O)C
ZINC000229783657
ZINC000229783678

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Available files

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