Vitas-M small molecule compound
(2E)-2-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Catalog ID
STL397588
SMILES COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)/c(=C\c1cn(nc1C)C)/s2)C(=O)Nc1ccccc1
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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 C27H25N5O3S MW 499.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O3S/c1-16-19(15-31(3)30-16)14-22-26(34)32-24(18-10-12-21(35-4)13-11-18)23(17(2)28-27(32)36-22)25(33)29-20-8-6-5-7-9-20/h5-15,24H,1-4H3,(H,29,33)/b22-14+InChIKey
DFADDMOZLRGLHM-HYARGMPZSA-NSynonyms
512810-38-7(2E)2((13DIMETHYL1HPYRAZOL4YL)METHYLIDENE)5(4METHOXYPHENYL)7METHYL3OXONPHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXAMIDE
(2E)2((13DIMETHYLPYRAZOL4YL)METHYLIDENE)5(4METHOXYPHENYL)7METHYL3OXONPHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXAMIDE
2((13DIMETHYL1HPYRAZOL4YL)METHYLENE)5(4METHOXYPHENYL)7METHYL3OXONPHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXAMIDE
512810387
CC1=C(C(N2C(=O)C(=CC3=CN(N=C3C)C)SC2=N1)C4=CC=C(C=C4)OC)C(=O)NC5=CC=CC=C5
COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)c(=Cc1cn(nc1C)C)s2)C(=O)Nc1ccccc1
InChI=1SC27H25N5O3Sc11619(1531(3)3016)142226(34)3224(18101221(354)131118)23(17(2)2827(32)3622)25(33)29208657920h51524H14H3(H2933)b2214+
MFCD03465876
ZINC000000650875
ZINC000000650878
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