Vitas-M small molecule compound
(2S,3S)-3-hydroxy-2-(4-oxo-4-(((3R,5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-3H-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-yl)oxy)butanamido)-3-phenylpropanoic acid
Catalog ID
STL553252
SMILES O=C(N[C@@H](C(c1ccccc1)O)C(=O)O)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
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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 C28H37NO10 MW 547.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H37NO10/c1-15-9-10-19-16(2)25(36-26-28(19)18(15)13-14-27(3,37-26)38-39-28)35-21(31)12-11-20(30)29-22(24(33)34)23(32)17-7-5-4-6-8-17/h4-8,15-16,18-19,22-23,25-26,32H,9-14H2,1-3H3,(H,29,30)(H,33,34)/t15-,16-,18+,19+,22+,23?,25-,26-,27-,28?/m1/s1InChIKey
NQQTYPVPNXLGIQ-GQYDZMEKSA-NSynonyms
(2S3S)3hydroxy2(4oxo4(((3R5aS6R8aS9R10S12R12aR)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanamido)3phenylpropanoicacid
InChI=1SC28H37NO10c1159101916(2)25(362628(19)18(15)131427(33726)383928)3521(31)121120(30)2922(24(33)34)23(32)177546817h48151618192223252632H914H213H3(H2930)(H3334)t151618+19+22+23?25262728?m1s1
O=C(N(C@@H)(C(c1ccccc1)O)C(=O)O)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
ZINC000100780966
ZINC000106362158
Check stock
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