Vitas-M small molecule compound
(5Z)-3-tert-butyl-5-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
Catalog ID
STL052482
SMILES Fc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=NC(=O)N(C1=O)C(C)(C)C)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 C21H22FN3O3 MW 383.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22FN3O3/c1-12-10-14(13(2)24(12)16-8-6-15(22)7-9-16)11-17-18(26)23-20(28)25(19(17)27)21(3,4)5/h6-11H,1-5H3,(H,23,26,28)/b17-11-InChIKey
KBHHCBIWDVQXFR-BOPFTXTBSA-NSynonyms
713128-68-8(5Z)1TERTBUTYL5((1(4FLUOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)13DIAZINANE246TRIONE
(5Z)3tertbutyl5((1(4fluorophenyl)25dimethyl1Hpyrrol3yl)methylidene)6hydroxypyrimidine24(3H5H)dione
713128688
CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C=C3C(=O)NC(=O)N(C3=O)C(C)(C)C
Fc1ccc(cc1)n1c(C)cc(c1C)C=C1C(=NC(=O)N(C1=O)C(C)(C)C)O
InChI=1SC21H22FN3O3c1121014(13(2)24(12)168615(22)7916)111718(26)2320(28)25(19(17)27)21(34)5h611H15H3(H232628)b1711
MFCD05727226
ZINC000017207633
ZINC17207633
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