Vitas-M small molecule compound
(5E)-5-{[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK188227
SMILES C=CCN1C(=S)NC(=O)/C(=C\c2cc(n(c2C)c2cccc(c2)F)C)/C1=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 C20H18FN3O2S MW 383.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18FN3O2S/c1-4-8-23-19(26)17(18(25)22-20(23)27)10-14-9-12(2)24(13(14)3)16-7-5-6-15(21)11-16/h4-7,9-11H,1,8H2,2-3H3,(H,22,25,27)/b17-10+InChIKey
OQKKAKYFIANNPS-LICLKQGHSA-NSynonyms
429621-93-2(5E)5((1(3FLUOROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1(PROP2EN1YL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)5((1(3FLUOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1PROP2ENYL2SULFANYLIDENE13DIAZINANE46DIONE
429621932
C=CCN1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2cccc(c2)F)C)C1=O
CC1=CC(=C(N1C2=CC(=CC=C2)F)C)C=C3C(=O)NC(=S)N(C3=O)CC=C
InChI=1SC20H18FN3O2Sc1482319(26)17(18(25)2220(23)27)1014912(2)24(13(14)3)1675615(21)1116h47911H18H223H3(H222527)b1710+
MFCD02604613
ZINC000001178751
ZINC01178751
ZINC1178751
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