Vitas-M small molecule compound
(4E)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(4-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STK578499
SMILES CC1Cc2c(O1)ccc(c2)/C(=C\1/C(c2ccc(cc2)C)N(C(=O)C1=O)c1nnc(s1)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 C24H21N3O4S MW 447.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O4S/c1-12-4-6-15(7-5-12)20-19(22(29)23(30)27(20)24-26-25-14(3)32-24)21(28)16-8-9-18-17(11-16)10-13(2)31-18/h4-9,11,13,20,28H,10H2,1-3H3/b21-19+InChIKey
MQBLTUUSRBXJPR-XUTLUUPISA-NSynonyms
897835-70-0(4E)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)5(4methylphenyl)1(5methyl134thiadiazol2yl)pyrrolidine23dione
897835700
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NN=C(S4)C)C5=CC=C(C=C5)C)O
CC1Cc2c(O1)ccc(c2)C(=C1C(c2ccc(cc2)C)N(C(=O)C1=O)c1nnc(s1)C)O
InChI=1SC24H21N3O4Sc1124615(7512)2019(22(29)23(30)27(20)24262514(3)3224)21(28)16891817(1116)1013(2)3118h4911132028H10H213H3b2119+
MFCD07200934
ZINC000102584141
ZINC000102663892
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