Vitas-M small molecule compound
(5E)-1-(4-chlorophenyl)-5-[3-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK170633
SMILES C#CCOc1ccc(cc1OC)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl
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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 C21H15ClN2O5 MW 410.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15ClN2O5/c1-3-10-29-17-9-4-13(12-18(17)28-2)11-16-19(25)23-21(27)24(20(16)26)15-7-5-14(22)6-8-15/h1,4-9,11-12H,10H2,2H3,(H,23,25,27)/b16-11+InChIKey
PGHKKSGAPXXZGE-LFIBNONCSA-NSynonyms
(5E)1(4CHLOROPHENYL)5((3METHOXY4PROP2YNOXYPHENYL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)1(4CHLOROPHENYL)5(3METHOXY4(PROP2YN1YLOXY)BENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
C#CCOc1ccc(cc1OC)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl
COC1=C(C=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Cl)OCC#C
InChI=1SC21H15ClN2O5c131029179413(1218(17)282)111619(25)2321(27)24(20(16)26)157514(22)6815h1491112H10H22H3(H232527)b1611+
MFCD02108374
ZINC000002945112
ZINC02945112
ZINC2945112
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