Vitas-M small molecule compound
methyl (2Z)-2-[(1-cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL372418
SMILES COC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C/c1cc(n(c1C)C1CC1)C)/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 C23H23N3O3S2 MW 453.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O3S2/c1-12-10-15(14(3)25(12)16-7-8-16)11-18-21(27)26-20(17-6-5-9-30-17)19(22(28)29-4)13(2)24-23(26)31-18/h5-6,9-11,16,20H,7-8H2,1-4H3/b18-11-InChIKey
QHOWMPILDOZDDT-WQRHYEAKSA-NSynonyms
CC1=CC(=C(N1C2CC2)C)C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OC)C5=CC=CS5
COC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=Cc1cc(n(c1C)C1CC1)C)s2
InChI=1SC23H23N3O3S2c1121015(14(3)25(12)167816)111821(27)2620(176593017)19(22(28)294)13(2)2423(26)3118h569111620H78H214H3b1811
methyl(2Z)2((1cyclopropyl25dimethyl1Hpyrrol3yl)methylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2Z)2((1cyclopropyl25dimethylpyrrol3yl)methylidene)7methyl3oxo5thiophen2yl5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD28950941
ZINC000098086670
ZINC000098086671
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