Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-methoxyphenyl)-1-{5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione
Catalog ID
STK588136
SMILES COc1ccc(cc1)C1N(c2nnc(s2)SCc2cccc3c2cccc3)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/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 C33H25N3O6S2 MW 623.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H25N3O6S2/c1-40-23-12-9-20(10-13-23)28-27(29(37)21-11-14-25-26(17-21)42-16-15-41-25)30(38)31(39)36(28)32-34-35-33(44-32)43-18-22-7-4-6-19-5-2-3-8-24(19)22/h2-14,17,28,37H,15-16,18H2,1H3/b29-27+InChIKey
PMEKKOHHBFCNGD-ORIPQNMZSA-NSynonyms
618855-58-6(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(4methoxyphenyl)1(5((naphthalen1ylmethyl)sulfanyl)134thiadiazol2yl)pyrrolidine23dione
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(4METHOXYPHENYL)1(5(NAPHTHALEN1YLMETHYLSULFANYL)134THIADIAZOL2YL)PYRROLIDINE23DIONE
618855586
COC1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=CC7=CC=CC=C76
COc1ccc(cc1)C1N(c2nnc(s2)SCc2cccc3c2cccc3)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
InChI=1SC33H25N3O6S2c1402312920(101323)2827(29(37)2111142526(1721)4216154125)30(38)31(39)36(28)32343533(4432)43182274619523824(19)22h214172837H151618H21H3b2927+
MFCD07199294
ZINC000102602808
ZINC000102602816
Check stock
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Check stock on Vitas-MAvailable files
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