Vitas-M small molecule compound
(4E)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-(3-methoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STK624765
SMILES COc1cccc(c1)C1N(c2nc3c(s2)cc(cc3)CC)C(=O)C(=O)/C/1=C(\c1ccccc1)/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 C27H22N2O4S MW 470.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O4S/c1-3-16-12-13-20-21(14-16)34-27(28-20)29-23(18-10-7-11-19(15-18)33-2)22(25(31)26(29)32)24(30)17-8-5-4-6-9-17/h4-15,23,30H,3H2,1-2H3/b24-22+InChIKey
ITRCLWAUMNRYQU-ZNTNEXAZSA-NSynonyms
618418-75-0(4E)1(6ethyl13benzothiazol2yl)4(hydroxy(phenyl)methylidene)5(3methoxyphenyl)pyrrolidine23dione
1(6ETHYLBENZOTHIAZOL2YL)3HYDROXY5(3METHOXYPHENYL)4(PHENYLCARBONYL)3PYRROLIN2ONE
618418750
CCC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC=CC=C4)O)C(=O)C3=O)C5=CC(=CC=C5)OC
COc1cccc(c1)C1N(c2nc3c(s2)cc(cc3)CC)C(=O)C(=O)C1=C(c1ccccc1)O
InChI=1SC27H22N2O4Sc131612132021(1416)3427(2820)2923(181071119(1518)332)22(25(31)26(29)32)24(30)178546917h4152330H3H212H3b2422+
MFCD09798381
ZINC000102726799
ZINC000102726801
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