Vitas-M small molecule compound
(4E)-5-[3-(benzyloxy)phenyl]-1-(6-chloro-1,3-benzothiazol-2-yl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione
Catalog ID
STK567838
SMILES Clc1ccc2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1cccc(c1)OCc1ccccc1
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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 C33H23ClN2O6S MW 611.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H23ClN2O6S/c34-22-10-11-24-27(17-22)43-33(35-24)36-29(20-7-4-8-23(15-20)42-18-19-5-2-1-3-6-19)28(31(38)32(36)39)30(37)21-9-12-25-26(16-21)41-14-13-40-25/h1-12,15-17,29,37H,13-14,18H2/b30-28+InChIKey
VINNVDSSNVRWHP-SJCQXOIGSA-NSynonyms
(4E)1(6CHLORO13BENZOTHIAZOL2YL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3PHENYLMETHOXYPHENYL)PYRROLIDINE23DIONE
(4E)5(3(benzyloxy)phenyl)1(6chloro13benzothiazol2yl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)pyrrolidine23dione
C1COC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(S4)C=C(C=C5)Cl)C6=CC(=CC=C6)OCC7=CC=CC=C7)O
Clc1ccc2c(c1)sc(n2)N1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)O)C1c1cccc(c1)OCc1ccccc1
InChI=1SC33H23ClN2O6Sc342210112427(1722)4333(3524)3629(2074823(1520)4218195213619)28(31(38)32(36)39)30(37)219122526(1621)4114134025h11215172937H131418H2b3028+
MFCD05735512
ZINC000102549523
ZINC000102549532
Check stock
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Check stock on Vitas-MAvailable files
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