Vitas-M small molecule compound
(4E)-4-[hydroxy(1,3,5-trimethyl-1H-pyrazol-4-yl)methylidene]-1-[3-(1H-imidazol-1-yl)propyl]-5-(thiophen-2-yl)pyrrolidine-2,3-dione
Catalog ID
STK647149
SMILES O=C1C(=O)N(C(/C/1=C(/c1c(C)nn(c1C)C)\O)c1cccs1)CCCn1ccnc1
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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 C21H23N5O3S MW 425.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O3S/c1-13-16(14(2)24(3)23-13)19(27)17-18(15-6-4-11-30-15)26(21(29)20(17)28)9-5-8-25-10-7-22-12-25/h4,6-7,10-12,18,27H,5,8-9H2,1-3H3/b19-17+InChIKey
RBHXCBDNIKFUSQ-HTXNQAPBSA-NSynonyms
1171024-03-5(4E)4(hydroxy(135trimethyl1Hpyrazol4yl)methylidene)1(3(1Himidazol1yl)propyl)5(thiophen2yl)pyrrolidine23dione
(4E)4(hydroxy(135trimethylpyrazol4yl)methylidene)1(3imidazol1ylpropyl)5thiophen2ylpyrrolidine23dione
1171024035
CC1=C(C(=NN1C)C)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=CS4)O
InChI=1SC21H23N5O3Sc11316(14(2)24(3)2313)19(27)1718(1564113015)26(21(29)20(17)28)95825107221225h46710121827H589H213H3b1917+
MFCD18164471
O=C1C(=O)N(C(C1=C(c1c(C)nn(c1C)C)O)c1cccs1)CCCn1ccnc1
ZINC000102753004
ZINC000102753006
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