Vitas-M small molecule compound
methyl (2Z)-5-[4-(dimethylamino)phenyl]-2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL403454
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)N(C)C)c(=O)/c(=C/c1c(C)nn(c1C)c1ccccc1)/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 C29H29N5O3S MW 527.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N5O3S/c1-17-23(19(3)34(31-17)22-10-8-7-9-11-22)16-24-27(35)33-26(20-12-14-21(15-13-20)32(4)5)25(28(36)37-6)18(2)30-29(33)38-24/h7-16,26H,1-6H3/b24-16-InChIKey
XRGOFXQFYPSHQQ-JLPGSUDCSA-NSynonyms
CC1=C(C(N2C(=O)C(=CC3=C(N(N=C3C)C4=CC=CC=C4)C)SC2=N1)C5=CC=C(C=C5)N(C)C)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)N(C)C)c(=O)c(=Cc1c(C)nn(c1C)c1ccccc1)s2
InChI=1SC29H29N5O3Sc11723(19(3)34(3117)22108791122)162427(35)3326(20121421(151320)32(4)5)25(28(36)376)18(2)3029(33)3824h71626H16H3b2416
methyl(2Z)5(4(dimethylamino)phenyl)2((35dimethyl1phenyl1Hpyrazol4yl)methylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2Z)5(4(dimethylamino)phenyl)2((35dimethyl1phenylpyrazol4yl)methylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD28952637
ZINC000002784131
ZINC000002784133
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