Vitas-M small molecule compound
(5Z)-1-(3-bromophenyl)-5-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK175085
SMILES COc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c2cccc(c2)Br)cc(c1OCc1cccc2c1cccc2)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 C29H20BrIN2O5 MW 683.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H20BrIN2O5/c1-37-25-14-17(12-23-27(34)32-29(36)33(28(23)35)21-10-5-9-20(30)15-21)13-24(31)26(25)38-16-19-8-4-7-18-6-2-3-11-22(18)19/h2-15H,16H2,1H3,(H,32,34,36)/b23-12-InChIKey
VKXAWHICMBCPLN-FMCGGJTJSA-NSynonyms
(5Z)1(3bromophenyl)5((3iodo5methoxy4(naphthalen1ylmethoxy)phenyl)methylidene)13diazinane246trione
(5Z)1(3BROMOPHENYL)5(3IODO5METHOXY4(NAPHTHALEN1YLMETHOXY)BENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
COC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)Br)I)OCC4=CC=CC5=CC=CC=C54
COc1cc(C=C2C(=O)NC(=O)N(C2=O)c2cccc(c2)Br)cc(c1OCc1cccc2c1cccc2)I
InChI=1SC29H20BrIN2O5c137251417(122327(34)3229(36)33(28(23)35)21105920(30)1521)1324(31)26(25)381619847186231122(18)19h215H16H21H3(H323436)b2312
MFCD02782242
ZINC000097960587
ZINC97960587
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