Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(4-methylphenyl)pyrrolidine-2,3-dione
Catalog ID
STK570371
SMILES Cc1ccc(cc1)C1N(c2sc3c(n2)c(C)cc(c3)C)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 C29H24N2O5S MW 512.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O5S/c1-15-4-6-18(7-5-15)25-23(26(32)19-8-9-20-21(14-19)36-11-10-35-20)27(33)28(34)31(25)29-30-24-17(3)12-16(2)13-22(24)37-29/h4-9,12-14,25,32H,10-11H2,1-3H3/b26-23+InChIKey
SHBFOLFOIWCVRK-WNAAXNPUSA-NSynonyms
618859-06-6(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(46dimethyl13benzothiazol2yl)5(4methylphenyl)pyrrolidine23dione
618859066
CC1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC6=C(C=C(C=C6S5)C)C
Cc1ccc(cc1)C1N(c2sc3c(n2)c(C)cc(c3)C)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
InChI=1SC29H24N2O5Sc1154618(7515)2523(26(32)19892021(1419)3611103520)27(33)28(34)31(25)29302417(3)1216(2)1322(24)3729h4912142532H1011H213H3b2623+
MFCD05738471
ZINC000102561984
ZINC000102561995
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