Vitas-M small molecule compound
(4E)-5-(3-chlorophenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STL041863
SMILES CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Cl)c1sc2c(n1)c(C)cc(c2)C)/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 C29H23ClN2O4S MW 531.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23ClN2O4S/c1-14-9-15(2)24-22(10-14)37-29(31-24)32-25(17-5-4-6-20(30)13-17)23(27(34)28(32)35)26(33)18-7-8-21-19(12-18)11-16(3)36-21/h4-10,12-13,16,25,33H,11H2,1-3H3/b26-23+InChIKey
ADPNXSATEHZAJK-WNAAXNPUSA-NSynonyms
877800-49-2(4E)5(3chlorophenyl)1(46dimethyl13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
877800492
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(C=C(C=C5S4)C)C)C6=CC(=CC=C6)Cl)O
CC1Oc2c(C1)cc(cc2)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Cl)c1sc2c(n1)c(C)cc(c2)C)O
InChI=1SC29H23ClN2O4Sc114915(2)2422(1014)3729(3124)3225(1754620(30)1317)23(27(34)28(32)35)26(33)18782119(1218)1116(3)3621h4101213162533H11H213H3b2623+
MFCD05734587
ZINC000102771328
ZINC000102771332
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