Vitas-M small molecule compound

N-[2-(diethylamino)ethyl]-3-methoxy-4-[(2,3,4,6-tetra-O-acetyl-D-glucopyranosyl)oxy]benzamide

Catalog ID
STK080209
SMILES CCN(CCNC(=O)c1ccc(c(c1)OC)OC1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)CC

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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 C28H40N2O12 MW 596.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H40N2O12/c1-8-30(9-2)13-12-29-27(35)20-10-11-21(22(14-20)36-7)41-28-26(40-19(6)34)25(39-18(5)33)24(38-17(4)32)23(42-28)15-37-16(3)31/h10-11,14,23-26,28H,8-9,12-13,15H2,1-7H3,(H,29,35)/t23-,24-,25+,26-,28?/m1/s1
InChIKey
YAQKKPAGOYYBGW-VBGSWAKPSA-N
Synonyms

((2R3R4S5R)345triacetyloxy6(4(2(diethylamino)ethylcarbamoyl)2methoxyphenoxy)oxan2yl)methylacetate
(2R3R4S5R)2(acetoxymethyl)6(4((2(diethylamino)ethyl)carbamoyl)2methoxyphenoxy)tetrahydro2Hpyran345triyltriacetatehydrochloride
CCN(CC)CCNC(=O)C1=CC(=C(C=C1)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC
CCN(CCNC(=O)c1ccc(c(c1)OC)OC1O(C@H)(COC(=O)C)(C@H)((C@@H)((C@H)1OC(=O)C)OC(=O)C)OC(=O)C)CC
CCN(CCNC(=O)c1ccc(c(c1)OC)OC1O(C@H)(COC(=O)C)(C@H)((C@@H)((C@H)1OC(=O)C)OC(=O)C)OC(=O)C)CCCl
InChI=1SC28H40N2O12c1830(92)13122927(35)20101121(22(1420)367)412826(4019(6)34)25(3918(5)33)24(3817(4)32)23(4228)153716(3)31h101114232628H89121315H217H3(H2935)t232425+2628?m1s1
MFCD13368383
N(2(diethylamino)ethyl)3methoxy4((2346tetraOacetylDglucopyranosyl)oxy)benzamide
STK080209
ZINC000070664709
ZINC000070664710

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Available files

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