Vitas-M small molecule compound

1-{[trans-4-({[N-(tert-butoxycarbonyl)-L-valyl]amino}methyl)cyclohexyl]carbonyl}-L-proline

Catalog ID
STL533408
SMILES O=C(OC(C)(C)C)N[C@H](C(=O)NC[C@@H]1CC[C@H](CC1)C(=O)N1CCC[C@H]1C(=O)O)C(C)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 C23H39N3O6 MW 453.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H39N3O6/c1-14(2)18(25-22(31)32-23(3,4)5)19(27)24-13-15-8-10-16(11-9-15)20(28)26-12-6-7-17(26)21(29)30/h14-18H,6-13H2,1-5H3,(H,24,27)(H,25,31)(H,29,30)/t15-,16-,17-,18-/m0/s1
InChIKey
TVQFQMQIUNXHDP-XSLAGTTESA-N
Synonyms

(S)1((1S4S)4(((S)2((tertbutoxycarbonyl)amino)3methylbutanamido)methyl)cyclohexanecarbonyl)pyrrolidine2carboxylicacid
1((trans4(((N(tertbutoxycarbonyl)Lvalyl)amino)methyl)cyclohexyl)carbonyl)Lproline
InChI=1SC23H39N3O6c114(2)18(2522(31)3223(34)5)19(27)24131581016(11915)20(28)26126717(26)21(29)30h1418H613H215H3(H2427)(H2531)(H2930)t15161718m0s1
O=C(OC(C)(C)C)N(C@H)(C(=O)NC(C@@H)1CC(C@H)(CC1)C(=O)N1CCC(C@H)1C(=O)O)C(C)C
ZINC000252695015

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Available files

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