Vitas-M small molecule compound
methyl (2E)-5-(4-fluorophenyl)-2-{[(6-hydroxy-2-methyl-4-oxoquinazolin-3(4H)-yl)acetyl]imino}-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL251304
SMILES COC(=O)c1[nH]/c(=N\C(=O)Cn2c(C)nc3c(c2=O)cc(cc3)O)/sc1c1ccc(cc1)F
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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/c1-11-24-16-8-7-14(28)9-15(16)20(30)27(11)10-17(29)25-22-26-18(21(31)32-2)19(33-22)12-3-5-13(23)6-4-12/h3-9,28H,10H2,1-2H3,(H,25,26,29)InChIKey
VMNCKYIEMJOSEO-UHFFFAOYSA-NSynonyms
1351689-11-61351689116
CC1=NC2=C(C=C(C=C2)O)C(=O)N1CC(=O)NC3=NC(=C(S3)C4=CC=C(C=C4)F)C(=O)OC
COC(=O)c1(nH)c(=NC(=O)Cn2c(C)nc3c(c2=O)cc(cc3)O)sc1c1ccc(cc1)F
InChI=1SC22H17FN4O5Sc11124168714(28)915(16)20(30)27(11)1017(29)25222618(21(31)322)19(3322)123513(23)6412h3928H10H212H3(H252629)
methyl(2E)5(4fluorophenyl)2(((6hydroxy2methyl4oxoquinazolin3(4H)yl)acetyl)imino)23dihydro13thiazole4carboxylate
methyl5(4fluorophenyl)2((2(6hydroxy2methyl4oxoquinazolin3yl)acetyl)amino)13thiazole4carboxylate
MFCD24852621
ZINC000072400966
ZINC72400966
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