Vitas-M small molecule compound

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

Catalog ID
STK522580
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC)c(=O)/c(=C/c1cc(I)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 C37H33IN2O7S MW 776.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H33IN2O7S/c1-6-46-36(42)32-21(2)39-37-40(33(32)24-14-15-28(43-3)29(19-24)44-4)35(41)31(48-37)18-22-16-27(38)34(30(17-22)45-5)47-20-25-12-9-11-23-10-7-8-13-26(23)25/h7-19,33H,6,20H2,1-5H3/b31-18-
InChIKey
KXHFMYSTSOIXTC-MNBJERMJSA-N
Synonyms

CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC)c(=O)c(=Cc1cc(I)c(c(c1)OC)OCc1cccc3c1cccc3)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC)OC)C(=O)C(=CC4=CC(=C(C(=C4)I)OCC5=CC=CC6=CC=CC=C65)OC)S2)C
ETHYL(2Z)5(34DIMETHOXYPHENYL)2((3IODO5METHOXY4(NAPHTHALEN1YLMETHOXY)PHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)5(34dimethoxyphenyl)2(3iodo5methoxy4(naphthalen1ylmethoxy)benzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC37H33IN2O7Sc164636(42)3221(2)393740(33(32)24141528(433)29(1924)444)35(41)31(4837)18221627(38)34(30(1722)455)472025129112310781326(23)25h71933H620H215H3b3118
MFCD02378683
ZINC000097966278
ZINC000097966279

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Available files

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