Vitas-M small molecule compound
(4E)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-methoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STL048747
SMILES COc1cccc(c1)C1N(c2nc3c(s2)cc(cc3)Cl)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 C27H19ClN2O6S MW 534.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19ClN2O6S/c1-34-17-4-2-3-14(11-17)23-22(24(31)15-5-8-19-20(12-15)36-10-9-35-19)25(32)26(33)30(23)27-29-18-7-6-16(28)13-21(18)37-27/h2-8,11-13,23,31H,9-10H2,1H3/b24-22+InChIKey
DZOLFQSCZGSZRU-ZNTNEXAZSA-NSynonyms
578753-12-5(4E)1(6chloro13benzothiazol2yl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(3methoxyphenyl)pyrrolidine23dione
578753125
COC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC6=C(S5)C=C(C=C6)Cl
COc1cccc(c1)C1N(c2nc3c(s2)cc(cc3)Cl)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
InChI=1SC27H19ClN2O6Sc1341742314(1117)2322(24(31)15581920(1215)361093519)25(32)26(33)30(23)2729187616(28)1321(18)3727h2811132331H910H21H3b2422+
MFCD05734497
ZINC000102884369
ZINC000102884370
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