Vitas-M small molecule compound

N~2~-[(1-{[(4S)-3-(tert-butoxycarbonyl)-1,3-thiazolidin-4-yl]carbonyl}-4-phenylpiperidin-4-yl)carbonyl]-D-asparagine

Catalog ID
STL532886
SMILES O=C([C@H]1CSCN1C(=O)OC(C)(C)C)N1CCC(CC1)(C(=O)N[C@@H](C(=O)O)CC(=O)N)c1ccccc1

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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 C25H34N4O7S MW 534.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H34N4O7S/c1-24(2,3)36-23(35)29-15-37-14-18(29)20(31)28-11-9-25(10-12-28,16-7-5-4-6-8-16)22(34)27-17(21(32)33)13-19(26)30/h4-8,17-18H,9-15H2,1-3H3,(H2,26,30)(H,27,34)(H,32,33)/t17-,18-/m1/s1
InChIKey
YPECUESEJFCLSL-QZTJIDSGSA-N
Synonyms
956958-14-8
(2~(R))4amino2((1((4~(S))3((2methylpropan2yl)oxycarbonyl)13thiazolidine4carbonyl)4phenylpiperidine4carbonyl)amino)4oxobutanoicacid
(R)4amino2(1((S)3(tertbutoxycarbonyl)thiazolidine4carbonyl)4phenylpiperidine4carboxamido)4oxobutanoicacid
16405320
956958148
InChI=1SC25H34N4O7Sc124(23)3623(35)2915371418(29)20(31)2811925(101228167546816)22(34)2717(21(32)33)1319(26)30h481718H915H213H3(H22630)(H2734)(H3233)t1718m1s1
N~2~((1(((4S)3(tertbutoxycarbonyl)13thiazolidin4yl)carbonyl)4phenylpiperidin4yl)carbonyl)Dasparagine
N2((1(((4S)3(TERTBUTOXYCARBONYL)13THIAZOLIDIN4YL)CARBONYL)4PHENYLPIPERIDIN4YL)CARBONYL)DASPARAGINE
O=C((C@H)1CSCN1C(=O)OC(C)(C)C)N1CCC(CC1)(C(=O)N(C@@H)(C(=O)O)CC(=O)N)c1ccccc1
ZINC000070701616
ZINC70701616

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.