Vitas-M small molecule compound
(5Z)-5-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-hexyl-6-hydroxypyrimidine-2,4(3H,5H)-dione
Catalog ID
STL048386
SMILES CCCCCCN1C(=O)N=C(/C(=C/c2cc(n(c2C)c2ccc(cc2)Cl)C)/C1=O)O
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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 C23H26ClN3O3 MW 427.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26ClN3O3/c1-4-5-6-7-12-26-22(29)20(21(28)25-23(26)30)14-17-13-15(2)27(16(17)3)19-10-8-18(24)9-11-19/h8-11,13-14H,4-7,12H2,1-3H3,(H,25,28,30)/b20-14-InChIKey
FNOCGGIRNSXCET-ZHZULCJRSA-NSynonyms
840513-33-9(5Z)5((1(4chlorophenyl)25dimethyl1Hpyrrol3yl)methylidene)3hexyl6hydroxypyrimidine24(3H5H)dione
(5Z)5((1(4CHLOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1HEXYL13DIAZINANE246TRIONE
840513339
CCCCCCN1C(=O)C(=CC2=C(N(C(=C2)C)C3=CC=C(C=C3)Cl)C)C(=O)NC1=O
CCCCCCN1C(=O)N=C(C(=Cc2cc(n(c2C)c2ccc(cc2)Cl)C)C1=O)O
InChI=1SC23H26ClN3O3c14567122622(29)20(21(28)2523(26)30)14171315(2)27(16(17)3)1910818(24)91119h8111314H4712H213H3(H252830)b2014
MFCD07198053
ZINC000009451818
ZINC09451818
ZINC9451818
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