Vitas-M small molecule compound
N-[(benzyloxy)carbonyl]-alpha-glutamyl-N~5~-{N-[(4-methylphenyl)sulfonyl]carbamimidoyl}ornithylglycine
Catalog ID
STK408792
SMILES N=C(NS(=O)(=O)c1ccc(cc1)C)NCCCC(C(=O)NCC(=O)O)NC(=O)C(NC(=O)OCc1ccccc1)CCC(=O)O
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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 C28H36N6O10S MW 648.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36N6O10S/c1-18-9-11-20(12-10-18)45(42,43)34-27(29)30-15-5-8-21(25(39)31-16-24(37)38)32-26(40)22(13-14-23(35)36)33-28(41)44-17-19-6-3-2-4-7-19/h2-4,6-7,9-12,21-22H,5,8,13-17H2,1H3,(H,31,39)(H,32,40)(H,33,41)(H,35,36)(H,37,38)(H3,29,30,34)InChIKey
NHFDRLCFEQNGPU-UHFFFAOYSA-NSynonyms
5((5((AMINO((4METHYLPHENYL)SULFONYLAMINO)METHYLIDENE)AMINO)1(CARBOXYMETHYLAMINO)1OXOPENTAN2YL)AMINO)5OXO4(PHENYLMETHOXYCARBONYLAMINO)PENTANOICACID
CC1=CC=C(C=C1)S(=O)(=O)NC(=NCCCC(C(=O)NCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)OCC2=CC=CC=C2)N
InChI=1SC28H36N6O10Sc11891120(121018)45(4243)3427(29)30155821(25(39)311624(37)38)3226(40)22(131423(35)36)3328(41)4417196324719h24679122122H581317H21H3(H3139)(H3240)(H3341)(H3536)(H3738)(H3293034)
MFCD00308496
N((benzyloxy)carbonyl)alphaglutamylN~5~(N((4methylphenyl)sulfonyl)carbamimidoyl)ornithylglycine
N((BENZYLOXY)CARBONYL)ALPHAGLUTAMYLN5(N((4METHYLPHENYL)SULFONYL)CARBAMIMIDOYL)ORNITHYLGLYCINE
ZINC000004015549
ZINC000150650792
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