Vitas-M small molecule compound
methyl N~2~-[(benzyloxy)carbonyl]-N~5~-{N-[(4-methylphenyl)sulfonyl]carbamimidoyl}ornithylglycylthreoninate
Catalog ID
STK370221
SMILES COC(=O)C(C(O)C)NC(=O)CNC(=O)C(NC(=O)OCc1ccccc1)CCCNC(=N)NS(=O)(=O)c1ccc(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 C28H38N6O9S MW 634.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H38N6O9S/c1-18-11-13-21(14-12-18)44(40,41)34-27(29)30-15-7-10-22(32-28(39)43-17-20-8-5-4-6-9-20)25(37)31-16-23(36)33-24(19(2)35)26(38)42-3/h4-6,8-9,11-14,19,22,24,35H,7,10,15-17H2,1-3H3,(H,31,37)(H,32,39)(H,33,36)(H3,29,30,34)InChIKey
KNTSKNRYYBPHED-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)S(=O)(=O)NC(=NCCCC(C(=O)NCC(=O)NC(C(C)O)C(=O)OC)NC(=O)OCC2=CC=CC=C2)N
InChI=1SC28H38N6O9Sc118111321(141218)44(4041)3427(29)301571022(3228(39)4317208546920)25(37)311623(36)3324(19(2)35)26(38)423h4689111419222435H7101517H213H3(H3137)(H3239)(H3336)(H3293034)
METHYL2((2((5((AMINO((4METHYLPHENYL)SULFONYLAMINO)METHYLIDENE)AMINO)2(PHENYLMETHOXYCARBONYLAMINO)PENTANOYL)AMINO)ACETYL)AMINO)3HYDROXYBUTANOATE
methylN~2~((benzyloxy)carbonyl)N~5~(N((4methylphenyl)sulfonyl)carbamimidoyl)ornithylglycylthreoninate
METHYLN2((BENZYLOXY)CARBONYL)N5(N((4METHYLPHENYL)SULFONYL)CARBAMIMIDOYL)ORNITHYLGLYCYLTHREONINATE
MFCD00314319
ZINC000102058887
ZINC000239331376
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.