Vitas-M small molecule compound

(5Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione

Catalog ID
STL053571
SMILES Fc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)N=C(N(C1=O)CCC1=CCCCC1)S

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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 C25H26FN3O2S MW 451.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26FN3O2S/c1-16-14-19(17(2)29(16)21-10-8-20(26)9-11-21)15-22-23(30)27-25(32)28(24(22)31)13-12-18-6-4-3-5-7-18/h6,8-11,14-15H,3-5,7,12-13H2,1-2H3,(H,27,30,32)/b22-15-
InChIKey
YUOKVSNAVXPMKU-JCMHNJIXSA-N
Synonyms
573669-86-0
(5Z)1(2(cyclohex1en1yl)ethyl)5((1(4fluorophenyl)25dimethyl1Hpyrrol3yl)methylidene)2sulfanylpyrimidine46(1H5H)dione
(5Z)1(2(CYCLOHEXEN1YL)ETHYL)5((1(4FLUOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
573669860
CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C=C3C(=O)NC(=S)N(C3=O)CCC4=CCCCC4
Fc1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)N=C(N(C1=O)CCC1=CCCCC1)S
InChI=1SC25H26FN3O2Sc1161419(17(2)29(16)2110820(26)91121)152223(30)2725(32)28(24(22)31)1312186435718h68111415H3571213H212H3(H273032)b2215
MFCD05735160
ZINC000017251739
ZINC17251739

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Available files

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