Vitas-M small molecule compound
(4E)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STL048282
SMILES CC1Cc2c(O1)ccc(c2)/C(=C\1/C(c2cccc(c2)Oc2ccccc2)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)Cl)/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 C33H23ClN2O5S MW 595.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H23ClN2O5S/c1-18-14-21-15-20(10-13-26(21)40-18)30(37)28-29(19-6-5-9-24(16-19)41-23-7-3-2-4-8-23)36(32(39)31(28)38)33-35-25-12-11-22(34)17-27(25)42-33/h2-13,15-18,29,37H,14H2,1H3/b30-28+InChIKey
CQJMZSADGFEQTO-SJCQXOIGSA-NSynonyms
893697-36-4(4E)1(6chloro13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)5(3phenoxyphenyl)pyrrolidine23dione
893697364
CC1CC2=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)OC7=CC=CC=C7)O
CC1Cc2c(O1)ccc(c2)C(=C1C(c2cccc(c2)Oc2ccccc2)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)Cl)O
InChI=1SC33H23ClN2O5Sc11814211520(101326(21)4018)30(37)2829(1965924(1619)41237324823)36(32(39)31(28)38)333525121122(34)1727(25)4233h21315182937H14H21H3b3028+
MFCD05732813
ZINC000102735580
ZINC000102735590
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