Vitas-M small molecule compound
(19E,21E,25E,27Z,29E,31E)-34-[(3-amino-3,6-dideoxyhexopyranosyl)oxy]-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid
Catalog ID
STL570460
SMILES OC1CCC(O)C(O)CC2(O)CC(O)C(C(O2)C(C/C=C/C=C/C=C\C=C\CC/C=C/C=C/C(C(C(C(OC(=O)CC(CC(C1)O)O)C)C)O)C)OC1OC(C)C(C(C1O)N)O)C(=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 C47H75NO17 MW 926.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C47H75NO17/c1-27-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-37(64-46-43(58)40(48)42(57)30(4)63-46)44-39(45(59)60)36(54)26-47(61,65-44)25-35(53)34(52)21-20-31(49)22-32(50)23-33(51)24-38(55)62-29(3)28(2)41(27)56/h5-7,9,11-18,27-37,39-44,46,49-54,56-58InChIKey
UCNDMFOEDBLYPL-HOENNLRCSA-NSynonyms
(19E21E25E27Z29E31E)34((3amino36dideoxyhexopyranosyl)oxy)13479111737octahydroxy151618trimethyl13oxo1439dioxabicyclo(3331)nonatriaconta192125272931hexaene36carboxylicacid(19E21E25E27Z29E31E)34((4amino35dihydroxy6methyltetrahydro2Hpyran2yl)oxy)13479111737octahydroxy151618trimethyl13oxo1439dioxabicyclo(3331)nonatriaconta192125272931hexaene36carboxylicacid
OC1CCC(O)C(O)CC2(O)CC(O)C(C(O2)C(CC=CC=CC=CC=CCCC=CC=CC(C(C(C(OC(=O)CC(CC(C1)O)O)C)C)O)C)OC1OC(C)C(C(C1O)N)O)C(=O)O
Registry IDs
MFCD03191368ZINC000254746051
ZINC000254746054
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