Vitas-M small molecule compound
(5E)-5-{[1-(5-chloro-2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(3-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187731
SMILES COc1ccc(cc1n1c(C)cc(c1C)/C=C/1\C(=O)NC(=S)N(C1=O)c1cccc(c1)F)Cl
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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 C24H19ClFN3O3S MW 483.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19ClFN3O3S/c1-13-9-15(14(2)28(13)20-11-16(25)7-8-21(20)32-3)10-19-22(30)27-24(33)29(23(19)31)18-6-4-5-17(26)12-18/h4-12H,1-3H3,(H,27,30,33)/b19-10+InChIKey
LHTWKIYZVIKRLL-VXLYETTFSA-NSynonyms
(5E)5((1(5CHLORO2METHOXYPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1(3FLUOROPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)5((1(5CHLORO2METHOXYPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1(3FLUOROPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC(=C(N1C2=C(C=CC(=C2)Cl)OC)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)F
COc1ccc(cc1n1c(C)cc(c1C)C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1)F)Cl
InChI=1SC24H19ClFN3O3Sc113915(14(2)28(13)201116(25)7821(20)323)101922(30)2724(33)29(23(19)31)1864517(26)1218h412H13H3(H273033)b1910+
MFCD03712018
ZINC000001163250
ZINC01163250
ZINC1163250
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