Vitas-M small molecule compound

(2E)-2-{3-[(4-iodophenoxy)methyl]-4-methoxybenzylidene}-7-methyl-N-(2-methylphenyl)-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

Catalog ID
STL176596
SMILES COc1ccc(cc1COc1ccc(cc1)I)/C=c\1/sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)Nc1ccccc1C)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 C34H28IN3O4S2 MW 733.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H28IN3O4S2/c1-20-7-4-5-8-26(20)37-32(39)30-21(2)36-34-38(31(30)28-9-6-16-43-28)33(40)29(44-34)18-22-10-15-27(41-3)23(17-22)19-42-25-13-11-24(35)12-14-25/h4-18,31H,19H2,1-3H3,(H,37,39)/b29-18+
InChIKey
PUCVYUQGAINDOQ-RDRPBHBLSA-N
Synonyms
828272-60-2
(2E)2((3((4iodophenoxy)methyl)4methoxyphenyl)methylidene)7methylN(2methylphenyl)3oxo5thiophen2yl5H(13)thiazolo(32a)pyrimidine6carboxamide
(2E)2(3((4iodophenoxy)methyl)4methoxybenzylidene)7methylN(2methylphenyl)3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxamide
828272602
CC1=CC=CC=C1NC(=O)C2=C(N=C3N(C2C4=CC=CS4)C(=O)C(=CC5=CC(=C(C=C5)OC)COC6=CC=C(C=C6)I)S3)C
COc1ccc(cc1COc1ccc(cc1)I)C=c1sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)Nc1ccccc1C)C
InChI=1SC34H28IN3O4S2c120745826(20)3732(39)3021(2)363438(31(30)2896164328)33(40)29(4434)1822101527(413)23(1722)194225131124(35)121425h41831H19H213H3(H3739)b2918+
MFCD04049700
ZINC000098046015
ZINC000098046016

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Available files

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