Vitas-M small molecule compound

5-oxoprolylglycyl-N~6~-[(benzyloxy)carbonyl]lysyl-N~5~-(N-nitrocarbamimidoyl)ornithine

Catalog ID
STL565375
SMILES O=C(NC(C(=O)NC(C(=O)O)CCCNC(=N)N[N+](=O)[O-])CCCCNC(=O)OCc1ccccc1)CNC(=O)C1CCC(=O)N1

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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 C27H39N9O10 MW 649.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H39N9O10/c28-26(35-36(44)45)29-14-6-10-20(25(41)42)34-24(40)18(33-22(38)15-31-23(39)19-11-12-21(37)32-19)9-4-5-13-30-27(43)46-16-17-7-2-1-3-8-17/h1-3,7-8,18-20H,4-6,9-16H2,(H,30,43)(H,31,39)(H,32,37)(H,33,38)(H,34,40)(H,41,42)(H3,28,29,35)
InChIKey
JBZJGEFLKYHISA-UHFFFAOYSA-N
Synonyms

2(6(((benzyloxy)carbonyl)amino)2(2(5oxopyrrolidine2carboxamido)acetamido)hexanamido)5(3nitroguanidino)pentanoicacid
3714854
5((amino(nitramido)methylidene)amino)2((2((2((5oxopyrrolidine2carbonyl)amino)acetyl)amino)6(phenylmethoxycarbonylamino)hexanoyl)amino)pentanoicacid
5oxoprolylglycylN~6~((benzyloxy)carbonyl)lysylN~5~(Nnitrocarbamimidoyl)ornithine
5OXOPROLYLGLYCYLN6((BENZYLOXY)CARBONYL)LYSYLN5(NNITROCARBAMIMIDOYL)ORNITHINE
InChI=1SC27H39N9O10c2826(3536(44)45)291461020(25(41)42)3424(40)18(3322(38)153123(39)19111221(37)3219)945133027(43)4616177213817h13781820H46916H2(H3043)(H3139)(H3237)(H3338)(H3440)(H4142)(H3282935)
MFCD00468972
O=C(NC(C(=O)NC(C(=O)O)CCCNC(=N)N(N+)(=O)(O))CCCCNC(=O)OCc1ccccc1)CNC(=O)C1CCC(=O)N1
ZINC000079183277
ZINC000253387756

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Available files

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