Vitas-M small molecule compound
methyl 5-(3-fluorophenyl)-2-{[3-(2-hydroxy-5-oxo-4,5-dihydro-3H-1,4-benzodiazepin-3-yl)propanoyl]amino}-1,3-thiazole-4-carboxylate
Catalog ID
STL410093
SMILES COC(=O)c1nc(sc1c1cccc(c1)F)NC(=O)CCC1NC(=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 C23H19FN4O5S MW 482.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19FN4O5S/c1-33-22(32)18-19(12-5-4-6-13(24)11-12)34-23(28-18)27-17(29)10-9-16-21(31)25-15-8-3-2-7-14(15)20(30)26-16/h2-8,11,16H,9-10H2,1H3,(H,25,31)(H,26,30)(H,27,28,29)InChIKey
WCYZPSALHQLOGH-UHFFFAOYSA-NSynonyms
1574288-45-11574288451
COC(=O)C1=C(SC(=N1)NC(=O)CCC2C(=O)NC3=CC=CC=C3C(=O)N2)C4=CC(=CC=C4)F
InChI=1SC23H19FN4O5Sc13322(32)1819(1254613(24)1112)3423(2818)2717(29)1091621(31)2515832714(15)20(30)2616h281116H910H21H3(H2531)(H2630)(H272829)
methyl2(3(25dioxo34dihydro1H14benzodiazepin3yl)propanoylamino)5(3fluorophenyl)13thiazole4carboxylate
methyl5(3fluorophenyl)2((3(2hydroxy5oxo45dihydro3H14benzodiazepin3yl)propanoyl)amino)13thiazole4carboxylate
MFCD30706032
ZINC000096117636
ZINC000096117637
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