Vitas-M small molecule compound
methyl (2Z)-5-(1,5-dimethyl-1H-pyrazol-4-yl)-7-methyl-3-oxo-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL391527
SMILES COC(=O)C1=C(C)N=c2n(C1c1cnn(c1C)C)c(=O)/c(=C\1/C(=O)Nc3c1cccc3)/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 C22H19N5O4S MW 449.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N5O4S/c1-10-15(21(30)31-4)17(13-9-23-26(3)11(13)2)27-20(29)18(32-22(27)24-10)16-12-7-5-6-8-14(12)25-19(16)28/h5-9,17H,1-4H3,(H,25,28)/b18-16-InChIKey
BJEMVVOVPNMMMK-VLGSPTGOSA-NSynonyms
1005579-12-31005579123
CC1=C(C(N2C(=O)C(=C3C4=CC=CC=C4NC3=O)SC2=N1)C5=C(N(N=C5)C)C)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1cnn(c1C)C)c(=O)c(=C1C(=O)Nc3c1cccc3)s2
InChI=1SC22H19N5O4Sc11015(21(30)314)17(1392326(3)11(13)2)2720(29)18(3222(27)2410)1612756814(12)2519(16)28h5917H14H3(H2528)b1816
methyl(2Z)5(15dimethyl1Hpyrazol4yl)7methyl3oxo2(2oxo12dihydro3Hindol3ylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2Z)5(15dimethylpyrazol4yl)7methyl3oxo2(2oxo1Hindol3ylidene)5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD04052505
ZINC000002799991
ZINC000002799993
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