Vitas-M small molecule compound
benzyl (2Z)-7-methyl-3-oxo-2-[4-(propan-2-yl)benzylidene]-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798941
SMILES O=C(C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C/c1ccc(cc1)C(C)C)/s2)OCc1ccccc1
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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 C29H26N2O3S2 MW 514.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N2O3S2/c1-18(2)22-13-11-20(12-14-22)16-24-27(32)31-26(23-10-7-15-35-23)25(19(3)30-29(31)36-24)28(33)34-17-21-8-5-4-6-9-21/h4-16,18,26H,17H2,1-3H3/b24-16-InChIKey
GFYYBMXERJHDJH-JLPGSUDCSA-NSynonyms
BENZYL(2Z)7METHYL3OXO2((4PROPAN2YLPHENYL)METHYLIDENE)5THIOPHEN2YL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
benzyl(2Z)7methyl3oxo2(4(propan2yl)benzylidene)5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)C(C)C)SC2=N1)C4=CC=CS4)C(=O)OCC5=CC=CC=C5
InChI=1SC29H26N2O3S2c118(2)22131120(121422)162427(32)3126(23107153523)25(19(3)3029(31)3624)28(33)3417218546921h4161826H17H213H3b2416
MFCD03213193
O=C(C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=Cc1ccc(cc1)C(C)C)s2)OCc1ccccc1
ZINC000002671597
ZINC000002671599
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