Vitas-M small molecule compound
(4E)-5-[4-(benzyloxy)-3-methoxyphenyl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STL050558
SMILES COc1cc(ccc1OCc1ccccc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)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 C36H30N2O7S MW 634.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H30N2O7S/c1-20-15-21(2)31-29(16-20)46-36(37-31)38-32(23-9-11-25(27(17-23)42-3)45-19-22-7-5-4-6-8-22)30(34(40)35(38)41)33(39)24-10-12-26-28(18-24)44-14-13-43-26/h4-12,15-18,32,39H,13-14,19H2,1-3H3/b33-30+InChIKey
NQMFODSZYHMXAP-KKYHWDRJSA-NSynonyms
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(46DIMETHYL13BENZOTHIAZOL2YL)5(3METHOXY4PHENYLMETHOXYPHENYL)PYRROLIDINE23DIONE
(4E)5(4(benzyloxy)3methoxyphenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(46dimethyl13benzothiazol2yl)pyrrolidine23dione
CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C4=CC5=C(C=C4)OCCO5)O)C(=O)C3=O)C6=CC(=C(C=C6)OCC7=CC=CC=C7)OC)C
COc1cc(ccc1OCc1ccccc1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)C
InChI=1SC36H30N2O7Sc1201521(2)3129(1620)4636(3731)3832(2391125(27(1723)423)4519227546822)30(34(40)35(38)41)33(39)2410122628(1824)4414134326h41215183239H131419H213H3b3330+
MFCD05730265
ZINC000150457804
ZINC000150457806
Check stock
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Check stock on Vitas-MAvailable files
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