Vitas-M small molecule compound
(5E)-1-(3,5-dimethylphenyl)-5-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK170279
SMILES COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c2cc(C)cc(c2)C)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 C31H25IN2O5 MW 632.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25IN2O5/c1-18-11-19(2)13-23(12-18)34-30(36)25(29(35)33-31(34)37)14-20-15-26(32)28(27(16-20)38-3)39-17-22-9-6-8-21-7-4-5-10-24(21)22/h4-16H,17H2,1-3H3,(H,33,35,37)/b25-14+InChIKey
IIKUKILDEJTNLE-AFUMVMLFSA-NSynonyms
(5E)1(35dimethylphenyl)5((3iodo5methoxy4(naphthalen1ylmethoxy)phenyl)methylidene)13diazinane246trione
(5E)1(35DIMETHYLPHENYL)5(3IODO5METHOXY4(NAPHTHALEN1YLMETHOXY)BENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
CC1=CC(=CC(=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)I)OCC4=CC=CC5=CC=CC=C54)OC)C(=O)NC2=O)C
COc1cc(C=C2C(=O)NC(=O)N(C2=O)c2cc(C)cc(c2)C)cc(c1OCc1cccc2c1cccc2)I
InChI=1SC31H25IN2O5c1181119(2)1323(1218)3430(36)25(29(35)3331(34)37)14201526(32)28(27(1620)383)391722968217451024(21)22h416H17H213H3(H333537)b2514+
MFCD01610245
ZINC000150343260
ZINC150343260
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