Vitas-M small molecule compound
ethyl (2Z)-2-[3-methoxy-4-(3-methylbutoxy)benzylidene]-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798155
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C/c1ccc(c(c1)OC)OCCC(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 C27H30N2O5S2 MW 526.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O5S2/c1-6-33-26(31)23-17(4)28-27-29(24(23)21-8-7-13-35-21)25(30)22(36-27)15-18-9-10-19(20(14-18)32-5)34-12-11-16(2)3/h7-10,13-16,24H,6,11-12H2,1-5H3/b22-15-InChIKey
WMHFSBDVTKTVQZ-JCMHNJIXSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=Cc1ccc(c(c1)OC)OCCC(C)C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CS3)C(=O)C(=CC4=CC(=C(C=C4)OCCC(C)C)OC)S2)C
ETHYL(2Z)2((3METHOXY4(3METHYLBUTOXY)PHENYL)METHYLIDENE)7METHYL3OXO5THIOPHEN2YL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)2(3methoxy4(3methylbutoxy)benzylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC27H30N2O5S2c163326(31)2317(4)282729(24(23)2187133521)25(30)22(3627)151891019(20(1418)325)34121116(2)3h710131624H61112H215H3b2215
MFCD03461879
ZINC000002709346
ZINC000002709350
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