Vitas-M small molecule compound

ethyl 4-{[(2-carbamimidamido-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetyl]amino}benzoate

Catalog ID
STK300274
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CC1SC(=NC1=O)NC(=N)N

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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 C15H17N5O4S MW 363.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17N5O4S/c1-2-24-13(23)8-3-5-9(6-4-8)18-11(21)7-10-12(22)19-15(25-10)20-14(16)17/h3-6,10H,2,7H2,1H3,(H,18,21)(H4,16,17,19,20,22)
InChIKey
WRYRAJDSTZOHMC-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N=C(S2)N=C(N)N
ethyl4(((2carbamimidamido4oxo45dihydro13thiazol5yl)acetyl)amino)benzoate
ethyl4((2(2(diaminomethylideneamino)4oxo13thiazol5yl)acetyl)amino)benzoate
ETHYL4(2(2(AMIDINOAMINO)4OXO13THIAZOLIN5YL)ACETYLAMINO)BENZOATE
InChI=1SC15H17N5O4Sc122413(23)8359(648)1811(21)71012(22)1915(2510)2014(16)17h3610H27H21H3(H1821)(H41617192022)
MFCD09438676
ZINC000013637676
ZINC000013637680

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.