Vitas-M small molecule compound
4-[(4-oxo-4-{[(5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-yl]oxy}butanoyl)amino]-3-phenylbutanoic acid
Catalog ID
STL553312
SMILES O=C(CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3)NCC(c1ccccc1)CC(=O)O
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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 C29H39NO9 MW 545.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H39NO9/c1-17-9-10-22-18(2)26(36-27-29(22)21(17)13-14-28(3,37-27)38-39-29)35-25(34)12-11-23(31)30-16-20(15-24(32)33)19-7-5-4-6-8-19/h4-8,17-18,20-22,26-27H,9-16H2,1-3H3,(H,30,31)(H,32,33)/t17-,18-,20?,21+,22+,26-,27-,28?,29?/m1/s1InChIKey
YGKUEHAQMXQXMF-VTBVXXPVSA-NSynonyms
16402171
4((4oxo4(((4~(S)5~(R)8~(S)9~(R)10~(S)12~(R))159trimethyl11141516tetraoxatetracyclo(10310^(413)0^(813))hexadecan10yl)oxy)butanoyl)amino)3phenylbutanoicacid
4((4oxo4(((5aS6R8aS9R10S12R12aR)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanoyl)amino)3phenylbutanoicacid
4(4oxo4(((3R5aS6R8aS9R10S12R12aR)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanamido)3phenylbutanoicacid
InChI=1SC29H39NO9c1179102218(2)26(362729(22)21(17)131428(33727)383929)3525(34)121123(31)301620(1524(32)33)197546819h48171820222627H916H213H3(H3031)(H3233)t171820?21+22+262728?29?m1s1
O=C(CCC(=O)O(C@@H)1O(C@@H)2OC3(C)CC(C@@H)4C2((C@H)((C@H)1C)CC(C@H)4C)OO3)NCC(c1ccccc1)CC(=O)O
ZINC000100768568
ZINC000105377309
Check stock
See real-time availability and sample size for STL553312 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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