Vitas-M small molecule compound

ethyl (2Z)-2-[4-(acetyloxy)-3-ethoxy-5-iodobenzylidene]-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
STK333513
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C(C)C)c(=O)/c(=C/c1cc(I)c(c(c1)OCC)OC(=O)C)/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 C30H31IN2O6S MW 674.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31IN2O6S/c1-7-37-23-14-19(13-22(31)27(23)39-18(6)34)15-24-28(35)33-26(21-11-9-20(10-12-21)16(3)4)25(29(36)38-8-2)17(5)32-30(33)40-24/h9-16,26H,7-8H2,1-6H3/b24-15-
InChIKey
MKXVHPPFAXGTOI-IWIPYMOSSA-N
Synonyms

CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C(C)C)c(=O)c(=Cc1cc(I)c(c(c1)OCC)OC(=O)C)s2
CCOC1=C(C(=CC(=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C4=CC=C(C=C4)C(C)C)I)OC(=O)C
ETHYL(2Z)2((4ACETYLOXY3ETHOXY5IODOPHENYL)METHYLIDENE)7METHYL3OXO5(4PROPAN2YLPHENYL)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)2(4(acetyloxy)3ethoxy5iodobenzylidene)7methyl3oxo5(4(propan2yl)phenyl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC30H31IN2O6Sc1737231419(1322(31)27(23)3918(6)34)152428(35)3326(2111920(101221)16(3)4)25(29(36)3882)17(5)3230(33)4024h91626H78H216H3b2415
MFCD01984950
ZINC000097962699
ZINC000097962700

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.