Vitas-M small molecule compound

ethyl (2E)-5-(4-chlorophenyl)-2-{3-[2-(4-hexylphenoxy)ethoxy]benzylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK037895
SMILES CCCCCCc1ccc(cc1)OCCOc1cccc(c1)/C=c\1/sc2=NC(=C(C(n2c1=O)c1ccc(cc1)Cl)C(=O)OCC)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 C37H39ClN2O5S MW 659.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H39ClN2O5S/c1-4-6-7-8-10-26-13-19-30(20-14-26)44-21-22-45-31-12-9-11-27(23-31)24-32-35(41)40-34(28-15-17-29(38)18-16-28)33(36(42)43-5-2)25(3)39-37(40)46-32/h9,11-20,23-24,34H,4-8,10,21-22H2,1-3H3/b32-24+
InChIKey
JREJUZBDWAFVNV-FEZSWGLMSA-N
Synonyms

CCCCCCC1=CC=C(C=C1)OCCOC2=CC=CC(=C2)C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OCC)C5=CC=C(C=C5)Cl
CCCCCCc1ccc(cc1)OCCOc1cccc(c1)C=c1sc2=NC(=C(C(n2c1=O)c1ccc(cc1)Cl)C(=O)OCC)C
ETHYL(2E)5(4CHLOROPHENYL)2((3(2(4HEXYLPHENOXY)ETHOXY)PHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2E)5(4CHLOROPHENYL)2(3(2(4HEXYLPHENOXY)ETHOXY)BENZYLIDENE)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC37H39ClN2O5Sc146781026131930(201426)44212245311291127(2331)243235(41)4034(28151729(38)181628)33(36(42)4352)25(3)3937(40)4632h91120232434H48102122H213H3b3224+
MFCD03183906
STK037895
ZINC000097958512
ZINC000097958513

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Available files

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