Vitas-M small molecule compound
(4E)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(4-methoxyphenyl)methylidene]-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STL054782
SMILES COc1ccc(cc1)/C(=C\1/C(c2cc(OC)c(c(c2)OC)OC)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)CC)/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 C30H28N2O7S MW 560.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N2O7S/c1-6-16-7-12-20-23(13-16)40-30(31-20)32-25(18-14-21(37-3)28(39-5)22(15-18)38-4)24(27(34)29(32)35)26(33)17-8-10-19(36-2)11-9-17/h7-15,25,33H,6H2,1-5H3/b26-24+InChIKey
KKPWALZUXYAKGA-SHHOIMCASA-NSynonyms
(4E)1(6ethyl13benzothiazol2yl)4(hydroxy(4methoxyphenyl)methylidene)5(345trimethoxyphenyl)pyrrolidine23dione
1(6ETHYLBENZOTHIAZOL2YL)3HYDROXY4((4METHOXYPHENYL)CARBONYL)5(345TRIMETHOXYPHENYL)3PYRROLIN2ONE
CCC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC=C(C=C4)OC)O)C(=O)C3=O)C5=CC(=C(C(=C5)OC)OC)OC
COc1ccc(cc1)C(=C1C(c2cc(OC)c(c(c2)OC)OC)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)CC)O
InChI=1SC30H28N2O7Sc16167122023(1316)4030(3120)3225(181421(373)28(395)22(1518)384)24(27(34)29(32)35)26(33)1781019(362)11917h7152533H6H215H3b2624+
MFCD05735995
ZINC000102893989
ZINC000102893992
Check stock
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Check stock on Vitas-MAvailable files
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