Vitas-M small molecule compound
(5Z)-5-{[1-(4-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK190075
SMILES CCc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccc(cc1)F
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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 C25H22FN3O2S MW 447.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22FN3O2S/c1-4-17-5-9-20(10-6-17)28-15(2)13-18(16(28)3)14-22-23(30)27-25(32)29(24(22)31)21-11-7-19(26)8-12-21/h5-14H,4H2,1-3H3,(H,27,30,32)/b22-14-InChIKey
LYSNBPOVFZJFPB-HMAPJEAMSA-NSynonyms
445407-15-8(5Z)5((1(4ETHYLPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1(4FLUOROPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)5((1(4ETHYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1(4FLUOROPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
445407158
5((1(4ETHYLPHENYL)25DIMETHYL1HPYRROL3YL)METHYLENE)1(4FLUOROPHENYL)2THIOXODIHYDRO46(1H5H)PYRIMIDINEDIONE
CCC1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)F)C
CCc1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)F
InChI=1SC25H22FN3O2Sc14175920(10617)2815(2)1318(16(28)3)142223(30)2725(32)29(24(22)31)2111719(26)81221h514H4H213H3(H273032)b2214
MFCD03078991
ZINC000000980535
ZINC00980535
ZINC980535
Check stock
See real-time availability and sample size for STK190075 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.