Vitas-M small molecule compound

5-(4-hydroxy-3-iodo-5-methoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STL495922
SMILES COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(c1O)I

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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 C12H9IN2O4S MW 404.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9IN2O4S/c1-19-8-4-5(3-7(13)9(8)16)2-6-10(17)14-12(20)15-11(6)18/h2-4,16H,1H3,(H2,14,15,17,18,20)
InChIKey
DTPKHLIHZPJSFQ-UHFFFAOYSA-N
Synonyms
73681-09-1
45H)PYRIMIDINEDIONEDIHYDRO5((4HYDROXY3IODO5METHOXYPHENYL)METHYLENE)2THIOXO
46(1H5H)PYRIMIDINEDIONEDIHYDRO5((4HYDROXY3IODO5METHOXYPHENYL)METHYLENE)2THIOXO
46(1H5H)PYRIMIDINEDIONEDIHYDRO5((4HYDROXY3IODO5METHOXYPHENYL)METHYLENE)2THIOXO(9CI)
5((4HYDROXY3IODO5METHOXYPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
5((4HYDROXY5IODO3METHOXYPHENYL)METHYLENE)23DIHYDRO2THIOXO46(1H5H)PYRIMIDINEDIONE
5(4hydroxy3iodo5methoxybenzylidene)2thioxodihydropyrimidine46(1H5H)dione
5(5IODOVANILLYLIDENE)2THIOBARBITURICACID
73681091
BARBITURICACID5(5IODOVANILLYLIDENE)2THIO
COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)NC2=O)I)O
InChI=1SC12H9IN2O4Sc119845(37(13)9(8)16)2610(17)1412(20)1511(6)18h2416H1H3(H21415171820)
MFCD00701407
ZINC000001580990
ZINC1580990

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Available files

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