Vitas-M small molecule compound

ethyl (2Z)-2-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)benzylidene]-7-methyl-3-oxo-5-[4-(propan-2-yl)phenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK676453
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C(C)C)c(=O)/c(=C/c1cc(Br)c(c(c1)OC)OCc1cccc3c1cccc3)/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 C38H35BrN2O5S MW 711.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H35BrN2O5S/c1-6-45-37(43)33-23(4)40-38-41(34(33)27-16-14-25(15-17-27)22(2)3)36(42)32(47-38)20-24-18-30(39)35(31(19-24)44-5)46-21-28-12-9-11-26-10-7-8-13-29(26)28/h7-20,22,34H,6,21H2,1-5H3/b32-20-
InChIKey
GMWKVFVFMXGDGC-RGXNXFOYSA-N
Synonyms

CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C(C)C)c(=O)c(=Cc1cc(Br)c(c(c1)OC)OCc1cccc3c1cccc3)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)C(C)C)C(=O)C(=CC4=CC(=C(C(=C4)Br)OCC5=CC=CC6=CC=CC=C65)OC)S2)C
ETHYL(2Z)2((3BROMO5METHOXY4(NAPHTHALEN1YLMETHOXY)PHENYL)METHYLIDENE)7METHYL3OXO5(4PROPAN2YLPHENYL)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)2(3bromo5methoxy4(naphthalen1ylmethoxy)benzylidene)7methyl3oxo5(4(propan2yl)phenyl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC38H35BrN2O5Sc164537(43)3323(4)403841(34(33)27161425(151727)22(2)3)36(42)32(4738)20241830(39)35(31(1924)445)462128129112610781329(26)28h7202234H621H215H3b3220
MFCD02312925
ZINC000150369596
ZINC000150369598

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Available files

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