Vitas-M small molecule compound
ethyl (2Z)-2-[(4-chloroquinolin-2-yl)methylidene]-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK774221
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C/c1cc(Cl)c3c(n1)cccc3)/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 C26H20ClN3O3S MW 489.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20ClN3O3S/c1-3-33-25(32)22-15(2)28-26-30(23(22)16-9-5-4-6-10-16)24(31)21(34-26)14-17-13-19(27)18-11-7-8-12-20(18)29-17/h4-14,23H,3H2,1-2H3/b21-14-InChIKey
ZPIGCYNLQYWEAN-STZFKDTASA-NSynonyms
499184-20-2499184202
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1cc(Cl)c3c(n1)cccc3)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)C(=CC4=NC5=CC=CC=C5C(=C4)Cl)S2)C
ethyl(2Z)2((4chloroquinolin2yl)methylidene)7methyl3oxo5phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)2((4CHLOROQUINOLIN2YL)METHYLIDENE)7METHYL3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC26H20ClN3O3Sc133325(32)2215(2)282630(23(22)1695461016)24(31)21(3426)14171319(27)1811781220(18)2917h41423H3H212H3b2114
MFCD04060377
ZINC000003628907
ZINC000003628911
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