Vitas-M small molecule compound

3-methoxy-N-[3-(piperidin-1-yl)propyl]-4-[(2,3,4,6-tetra-O-acetyl-D-glucopyranosyl)oxy]benzamide

Catalog ID
STK028800
SMILES COc1cc(ccc1OC1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)C(=O)NCCCN1CCCCC1

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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 C30H42N2O12 MW 622.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H42N2O12/c1-18(33)39-17-25-26(40-19(2)34)27(41-20(3)35)28(42-21(4)36)30(44-25)43-23-11-10-22(16-24(23)38-5)29(37)31-12-9-15-32-13-7-6-8-14-32/h10-11,16,25-28,30H,6-9,12-15,17H2,1-5H3,(H,31,37)/t25-,26-,27+,28-,30?/m1/s1
InChIKey
JBFGPMHGXURSSQ-VAUJRCAMSA-N
Synonyms

((2R3R4S5R)345triacetyloxy6(2methoxy4(3piperidin1ylpropylcarbamoyl)phenoxy)oxan2yl)methylacetate
(2R3R4S5R)2(acetoxymethyl)6(2methoxy4((3(piperidin1yl)propyl)carbamoyl)phenoxy)tetrahydro2Hpyran345triyltriacetatehydrochloride
3methoxyN(3(piperidin1yl)propyl)4((2346tetraOacetylDglucopyranosyl)oxy)benzamide
CC(=O)OCC1C(C(C(C(O1)OC2=C(C=C(C=C2)C(=O)NCCCN3CCCCC3)OC)OC(=O)C)OC(=O)C)OC(=O)C
COc1cc(ccc1OC1O(C@H)(COC(=O)C)(C@H)((C@@H)((C@H)1OC(=O)C)OC(=O)C)OC(=O)C)C(=O)NCCCN1CCCCC1
COc1cc(ccc1OC1O(C@H)(COC(=O)C)(C@H)((C@@H)((C@H)1OC(=O)C)OC(=O)C)OC(=O)C)C(=O)NCCCN1CCCCC1Cl
InChI=1SC30H42N2O12c118(33)39172526(4019(2)34)27(4120(3)35)28(4221(4)36)30(4425)4323111022(1624(23)385)29(37)311291532137681432h101116252830H69121517H215H3(H3137)t252627+2830?m1s1
MFCD13368314
STK028800
ZINC000070664541
ZINC000070664544

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Available files

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