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}tryptophan
Catalog ID
STL529913
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)Cc1c[nH]c2c1cccc2
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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 C34H45N3O10 MW 655.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H45N3O10/c1-19-10-11-24-20(2)31(44-32-34(24)23(19)14-15-33(3,45-32)46-47-34)43-29(40)13-12-27(38)35-16-6-9-28(39)37-26(30(41)42)17-21-18-36-25-8-5-4-7-22(21)25/h4-5,7-8,18-20,23-24,26,31-32,36H,6,9-17H2,1-3H3,(H,35,38)(H,37,39)(H,41,42)/t19-,2InChIKey
CXXBGCIMYQWORX-PXQHPRNHSA-NSynonyms
16405194
3(1~(H)indol3yl)2(4((4oxo4(((4~(S)5~(R)12~(S))159trimethyl11141516tetraoxatetracyclo(10310^(413)0^(813))hexadecan10yl)oxy)butanoyl)amino)butanoylamino)propanoicacid
3(1Hindol3yl)2(4(4oxo4(((5aS6R12S)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanamido)butanamido)propanoicacid
InChI=1SC34H45N3O10c11910112420(2)31(443234(24)23(19)141533(34532)464734)4329(40)131227(38)35166928(39)3726(30(41)42)1721183625854722(21)25h45781820232426313236H6917H213H3(H3538)(H3739)(H4142)t1920?23+24?26?31?32+33?34?m1s1
MFCD06769358
N(4((4oxo4(((5aS6R12S)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanoyl)amino)butanoyl)tryptophan
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)Cc1c(nH)c2c1cccc2
ZINC000229609028
ZINC000253387612
Check stock
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