Vitas-M small molecule compound
(4E)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-{5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-[3-(prop-2-en-1-yloxy)phenyl]pyrrolidine-2,3-dione
Catalog ID
STL054965
SMILES C=CCOc1cccc(c1)C1N(c2nnc(s2)SCc2cccc3c2cccc3)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)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 C36H29N3O5S2 MW 647.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H29N3O5S2/c1-3-16-43-27-12-7-10-23(19-27)31-30(32(40)24-14-15-29-26(18-24)17-21(2)44-29)33(41)34(42)39(31)35-37-38-36(46-35)45-20-25-11-6-9-22-8-4-5-13-28(22)25/h3-15,18-19,21,31,40H,1,16-17,20H2,2H3/b32-30+InChIKey
ZZKHMJFNQCFEHC-NHQGMKOOSA-NSynonyms
893696-07-6(4E)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(5((naphthalen1ylmethyl)sulfanyl)134thiadiazol2yl)5(3(prop2en1yloxy)phenyl)pyrrolidine23dione
(4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(5(NAPHTHALEN1YLMETHYLSULFANYL)134THIADIAZOL2YL)5(3PROP2ENOXYPHENYL)PYRROLIDINE23DIONE
893696076
C=CCOc1cccc(c1)C1N(c2nnc(s2)SCc2cccc3c2cccc3)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NN=C(S4)SCC5=CC=CC6=CC=CC=C65)C7=CC(=CC=C7)OCC=C)O
InChI=1SC36H29N3O5S2c131643271271023(1927)3130(32(40)2414152926(1824)1721(2)4429)33(41)34(42)39(31)35373836(4635)4520251169228451328(22)25h3151819213140H1161720H22H3b3230+
MFCD05730092
ZINC000150463357
ZINC000150463368
Check stock
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