Vitas-M small molecule compound
propan-2-yl (2E)-7-methyl-2-(4-methylbenzylidene)-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK797724
SMILES CC(OC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C\c1ccc(cc1)C)/s2)C
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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 C23H22N2O3S2 MW 438.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O3S2/c1-13(2)28-22(27)19-15(4)24-23-25(20(19)17-6-5-11-29-17)21(26)18(30-23)12-16-9-7-14(3)8-10-16/h5-13,20H,1-4H3/b18-12+InChIKey
LOWVWPVZZYOTRR-LDADJPATSA-NSynonyms
CC(OC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=Cc1ccc(cc1)C)s2)C
CC1=CC=C(C=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OC(C)C)C4=CC=CS4
InChI=1SC23H22N2O3S2c113(2)2822(27)1915(4)242325(20(19)1765112917)21(26)18(3023)12169714(3)81016h51320H14H3b1812+
MFCD03417117
PROPAN2YL(2E)7METHYL2((4METHYLPHENYL)METHYLIDENE)3OXO5THIOPHEN2YL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
propan2yl(2E)7methyl2(4methylbenzylidene)3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ZINC000000630833
ZINC000000630834
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