Vitas-M small molecule compound
ethyl (2Z)-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2-[4-(propan-2-yl)benzylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK895356
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)SC)c(=O)/c(=C/c1ccc(cc1)C(C)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 C27H28N2O3S2 MW 492.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O3S2/c1-6-32-26(31)23-17(4)28-27-29(24(23)20-11-13-21(33-5)14-12-20)25(30)22(34-27)15-18-7-9-19(10-8-18)16(2)3/h7-16,24H,6H2,1-5H3/b22-15-InChIKey
PSDVHANRIHCUOB-JCMHNJIXSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)SC)c(=O)c(=Cc1ccc(cc1)C(C)C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)SC)C(=O)C(=CC4=CC=C(C=C4)C(C)C)S2)C
ethyl(2Z)7methyl5(4(methylsulfanyl)phenyl)3oxo2(4(propan2yl)benzylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)7METHYL5(4METHYLSULFANYLPHENYL)3OXO2((4PROPAN2YLPHENYL)METHYLIDENE)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC27H28N2O3S2c163226(31)2317(4)282729(24(23)20111321(335)141220)25(30)22(3427)15187919(10818)16(2)3h71624H6H215H3b2215
MFCD01592755
ZINC000002532993
ZINC000002680792
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