Vitas-M small molecule compound
(5Z)-5-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxypyrimidine-2,4(3H,5H)-dione
Catalog ID
STL050960
SMILES COc1cc(CCN2C(=O)N=C(/C(=C/c3cc(n(c3C)c3ccc(cc3)Cl)C)/C2=O)O)ccc1OC
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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 C27H26ClN3O5 MW 507.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClN3O5/c1-16-13-19(17(2)31(16)21-8-6-20(28)7-9-21)15-22-25(32)29-27(34)30(26(22)33)12-11-18-5-10-23(35-3)24(14-18)36-4/h5-10,13-15H,11-12H2,1-4H3,(H,29,32,34)/b22-15-InChIKey
ZXFIDNSBIHTZAN-JCMHNJIXSA-NSynonyms
586993-44-4(5Z)5((1(4chlorophenyl)25dimethyl1Hpyrrol3yl)methylidene)3(2(34dimethoxyphenyl)ethyl)6hydroxypyrimidine24(3H5H)dione
(5Z)5((1(4CHLOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1(2(34DIMETHOXYPHENYL)ETHYL)13DIAZINANE246TRIONE
586993444
CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C=C3C(=O)NC(=O)N(C3=O)CCC4=CC(=C(C=C4)OC)OC
COc1cc(CCN2C(=O)N=C(C(=Cc3cc(n(c3C)c3ccc(cc3)Cl)C)C2=O)O)ccc1OC
InChI=1SC27H26ClN3O5c1161319(17(2)31(16)218620(28)7921)152225(32)2927(34)30(26(22)33)12111851023(353)24(1418)364h5101315H1112H214H3(H293234)b2215
MFCD07205933
ZINC000009089829
ZINC9089829
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