Vitas-M small molecule compound
methyl 5-(3-fluorophenyl)-2-{[(2-hydroxy-5-oxo-4,5-dihydro-3H-1,4-benzodiazepin-3-yl)acetyl]amino}-1,3-thiazole-4-carboxylate
Catalog ID
STL409042
SMILES COC(=O)c1nc(sc1c1cccc(c1)F)NC(=O)CC1NC(=O)c2c(N=C1O)cccc2
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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 C22H17FN4O5S MW 468.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17FN4O5S/c1-32-21(31)17-18(11-5-4-6-12(23)9-11)33-22(27-17)26-16(28)10-15-20(30)24-14-8-3-2-7-13(14)19(29)25-15/h2-9,15H,10H2,1H3,(H,24,30)(H,25,29)(H,26,27,28)InChIKey
MBZHPQIITZBLLI-UHFFFAOYSA-NSynonyms
1574289-01-21574289012
COC(=O)C1=C(SC(=N1)NC(=O)CC2C(=O)NC3=CC=CC=C3C(=O)N2)C4=CC(=CC=C4)F
InChI=1SC22H17FN4O5Sc13221(31)1718(1154612(23)911)3322(2717)2616(28)101520(30)2414832713(14)19(29)2515h2915H10H21H3(H2430)(H2529)(H262728)
methyl2((2(25dioxo34dihydro1H14benzodiazepin3yl)acetyl)amino)5(3fluorophenyl)13thiazole4carboxylate
methyl5(3fluorophenyl)2(((2hydroxy5oxo45dihydro3H14benzodiazepin3yl)acetyl)amino)13thiazole4carboxylate
MFCD30705501
ZINC000096116775
ZINC000096116776
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