Vitas-M small molecule compound
methyl 4-[(3E)-3-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate
Catalog ID
STK581124
SMILES COC(=O)c1ccc(cc1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1nnc(s1)C
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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 C25H21N3O6S MW 491.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O6S/c1-12-10-17-11-16(8-9-18(17)34-12)21(29)19-20(14-4-6-15(7-5-14)24(32)33-3)28(23(31)22(19)30)25-27-26-13(2)35-25/h4-9,11-12,20,29H,10H2,1-3H3/b21-19+InChIKey
KRTVUFKRIXTDLJ-XUTLUUPISA-NSynonyms
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)OC)O
COC(=O)c1ccc(cc1)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1nnc(s1)C
InChI=1SC25H21N3O6Sc11210171116(8918(17)3412)21(29)1920(144615(7514)24(32)333)28(23(31)22(19)30)25272613(2)3525h4911122029H10H213H3b2119+
methyl4((3E)3(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(5methyl134thiadiazol2yl)45dioxopyrrolidin2yl)benzoate
MFCD07210686
ZINC000102589926
ZINC000102665664
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