Vitas-M small molecule compound
benzyl (2Z)-2-(4-butoxybenzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798938
SMILES CCCCOc1ccc(cc1)/C=c/1\sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OCc1ccccc1)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 C30H28N2O4S2 MW 544.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N2O4S2/c1-3-4-16-35-23-14-12-21(13-15-23)18-25-28(33)32-27(24-11-8-17-37-24)26(20(2)31-30(32)38-25)29(34)36-19-22-9-6-5-7-10-22/h5-15,17-18,27H,3-4,16,19H2,1-2H3/b25-18-InChIKey
BIKAGXUOGAFDOE-BWAHOGKJSA-NSynonyms
BENZYL(2Z)2((4BUTOXYPHENYL)METHYLIDENE)7METHYL3OXO5THIOPHEN2YL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
benzyl(2Z)2(4butoxybenzylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
CCCCOC1=CC=C(C=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC4=CC=CC=C4)C5=CC=CS5
CCCCOc1ccc(cc1)C=c1sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OCc1ccccc1)C
InChI=1SC30H28N2O4S2c134163523141221(131523)182528(33)3227(24118173724)26(20(2)3130(32)3825)29(34)36192296571022h515171827H341619H212H3b2518
MFCD03213242
ZINC000097946211
ZINC000097946212
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