Vitas-M small molecule compound

tert-butyl (2S)-2-{[4-({(2S)-1-[(4-methylbenzyl)amino]-1-oxopropan-2-yl}carbamoyl)piperidin-1-yl]carbonyl}pyrrolidine-1-carboxylate

Catalog ID
STL563059
SMILES O=C([C@@H](NC(=O)C1CCN(CC1)C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C)NCc1ccc(cc1)C

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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 C27H40N4O5 MW 500.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H40N4O5/c1-18-8-10-20(11-9-18)17-28-23(32)19(2)29-24(33)21-12-15-30(16-13-21)25(34)22-7-6-14-31(22)26(35)36-27(3,4)5/h8-11,19,21-22H,6-7,12-17H2,1-5H3,(H,28,32)(H,29,33)/t19-,22-/m0/s1
InChIKey
MYHSTFYQUQCVIJ-UGKGYDQZSA-N
Synonyms
956974-44-0
(S)tertbutyl2(4(((S)1((4methylbenzyl)amino)1oxopropan2yl)carbamoyl)piperidine1carbonyl)pyrrolidine1carboxylate
16400778
956974440
InChI=1SC27H40N4O5c11881020(11918)172823(32)19(2)2924(33)21121530(161321)25(34)22761431(22)26(35)3627(34)5h811192122H671217H215H3(H2832)(H2933)t1922m0s1
MFCD05672004
O=C((C@@H)(NC(=O)C1CCN(CC1)C(=O)(C@@H)1CCCN1C(=O)OC(C)(C)C)C)NCc1ccc(cc1)C
tertbutyl(2S)2((4(((2S)1((4methylbenzyl)amino)1oxopropan2yl)carbamoyl)piperidin1yl)carbonyl)pyrrolidine1carboxylate
tertbutyl(2S)2(4(((2S)1((4methylphenyl)methylamino)1oxopropan2yl)carbamoyl)piperidine1carbonyl)pyrrolidine1carboxylate
ZINC000008918392

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Available files

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