Vitas-M small molecule compound
methyl 4-[(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-{5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4,5-dioxopyrrolidin-2-yl]benzoate
Catalog ID
STK578750
SMILES COC(=O)c1ccc(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 C34H25N3O7S2 MW 651.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H25N3O7S2/c1-42-32(41)21-11-9-20(10-12-21)28-27(29(38)22-13-14-25-26(17-22)44-16-15-43-25)30(39)31(40)37(28)33-35-36-34(46-33)45-18-23-7-4-6-19-5-2-3-8-24(19)23/h2-14,17,28,38H,15-16,18H2,1H3/b29-27+InChIKey
YOZWDEBXMQWRAT-ORIPQNMZSA-NSynonyms
618855-61-1618855611
COC(=O)C1=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
COC(=O)c1ccc(cc1)C1N(c2nnc(s2)SCc2cccc3c2cccc3)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
InChI=1SC34H25N3O7S2c14232(41)2111920(101221)2827(29(38)2213142526(1722)4416154325)30(39)31(40)37(28)33353634(4633)45182374619523824(19)23h214172838H151618H21H3b2927+
methyl4((3E)3(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(5((naphthalen1ylmethyl)sulfanyl)134thiadiazol2yl)45dioxopyrrolidin2yl)benzoate
METHYL4((3E)3(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(5(NAPHTHALEN1YLMETHYLSULFANYL)134THIADIAZOL2YL)45DIOXOPYRROLIDIN2YL)BENZOATE
MFCD07211894
ZINC000150426663
ZINC000150426670
Check stock
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Check stock on Vitas-MAvailable files
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