Vitas-M small molecule compound
(5Z)-5-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(3-methoxyphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK570769
SMILES COc1cccc(c1)N1C(=NC(=O)/C(=C/c2cc(n(c2C)c2ccc(cc2)F)C)/C1=O)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 C24H20FN3O3S MW 449.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20FN3O3S/c1-14-11-16(15(2)27(14)18-9-7-17(25)8-10-18)12-21-22(29)26-24(32)28(23(21)30)19-5-4-6-20(13-19)31-3/h4-13H,1-3H3,(H,26,29,32)/b21-12-InChIKey
ARQDWFRSEHPSHJ-MTJSOVHGSA-NSynonyms
714929-37-0(5Z)5((1(4fluorophenyl)25dimethyl1Hpyrrol3yl)methylidene)1(3methoxyphenyl)2sulfanylpyrimidine46(1H5H)dione
(5Z)5((1(4FLUOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1(3METHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
714929370
CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)OC
COc1cccc(c1)N1C(=NC(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)F)C)C1=O)S
InChI=1SC24H20FN3O3Sc1141116(15(2)27(14)189717(25)81018)122122(29)2624(32)28(23(21)30)1954620(1319)313h413H13H3(H262932)b2112
MFCD05734883
ZINC000002265288
ZINC2265288
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