Vitas-M small molecule compound

benzyl (2E)-7-methyl-3-oxo-2-[4-(pentyloxy)benzylidene]-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK798985
SMILES CCCCCOc1ccc(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 C31H30N2O4S2 MW 558.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N2O4S2/c1-3-4-8-17-36-24-15-13-22(14-16-24)19-26-29(34)33-28(25-12-9-18-38-25)27(21(2)32-31(33)39-26)30(35)37-20-23-10-6-5-7-11-23/h5-7,9-16,18-19,28H,3-4,8,17,20H2,1-2H3/b26-19+
InChIKey
OGEBKTVKALXJQN-LGUFXXKBSA-N
Synonyms

BENZYL(2E)7METHYL3OXO2((4PENTOXYPHENYL)METHYLIDENE)5THIOPHEN2YL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
benzyl(2E)7methyl3oxo2(4(pentyloxy)benzylidene)5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
CCCCCOC1=CC=C(C=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC4=CC=CC=C4)C5=CC=CS5
CCCCCOc1ccc(cc1)C=c1sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OCc1ccccc1)C
InChI=1SC31H30N2O4S2c1348173624151322(141624)192629(34)3328(25129183825)27(21(2)3231(33)3926)30(35)372023106571123h57916181928H3481720H212H3b2619+
MFCD03417963
ZINC000100839631
ZINC000100839633

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Available files

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