Vitas-M small molecule compound
ethyl (2E)-7-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylidene]-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL174179
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C\c1scnc1C)/s2
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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 C21H19N3O3S2 MW 425.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O3S2/c1-4-27-20(26)17-13(3)23-21-24(18(17)14-8-6-5-7-9-14)19(25)16(29-21)10-15-12(2)22-11-28-15/h5-11,18H,4H2,1-3H3/b16-10+InChIKey
JBMBMDODNYFJFY-MHWRWJLKSA-NSynonyms
881482-42-4881482424
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1scnc1C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)C(=CC4=C(N=CS4)C)S2)C
ethyl(2E)7methyl2((4methyl13thiazol5yl)methylidene)3oxo5phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)7methyl2((4methyl13thiazol5yl)methylidene)3oxo5phenyl5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC21H19N3O3S2c142720(26)1713(3)232124(18(17)148657914)19(25)16(2921)101512(2)22112815h51118H4H213H3b1610+
MFCD08554290
ZINC000036612236
ZINC000036612237
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