Vitas-M small molecule compound
(4E)-1-(6-chloro-1,3-benzothiazol-2-yl)-5-(3,4-dichlorophenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STK569545
SMILES CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)Cl)Cl)c1nc2c(s1)cc(cc2)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 C27H17Cl3N2O4S MW 571.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H17Cl3N2O4S/c1-12-8-15-9-14(3-7-20(15)36-12)24(33)22-23(13-2-5-17(29)18(30)10-13)32(26(35)25(22)34)27-31-19-6-4-16(28)11-21(19)37-27/h2-7,9-12,23,33H,8H2,1H3/b24-22+InChIKey
WBYWHIBBVMKTGF-ZNTNEXAZSA-NSynonyms
893701-73-0(4E)1(6chloro13benzothiazol2yl)5(34dichlorophenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
893701730
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(S4)C=C(C=C5)Cl)C6=CC(=C(C=C6)Cl)Cl)O
CC1Oc2c(C1)cc(cc2)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)Cl)Cl)c1nc2c(s1)cc(cc2)Cl)O
InChI=1SC27H17Cl3N2O4Sc112815914(3720(15)3612)24(33)2223(132517(29)18(30)1013)32(26(35)25(22)34)2731196416(28)1121(19)3727h279122333H8H21H3b2422+
MFCD05728576
ZINC000102558059
ZINC000102654387
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