Vitas-M small molecule compound
(4E)-5-(4-tert-butylphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STL053483
SMILES CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)c1nc2c(s1)cc(cc2)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 C32H30N2O4S MW 538.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30N2O4S/c1-17-6-12-23-25(14-17)39-31(33-23)34-27(19-7-10-22(11-8-19)32(3,4)5)26(29(36)30(34)37)28(35)20-9-13-24-21(16-20)15-18(2)38-24/h6-14,16,18,27,35H,15H2,1-5H3/b28-26+InChIKey
DPJQGHMCRVQFKD-BYCLXTJYSA-NSynonyms
850728-67-5(4E)5(4tertbutylphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(6methyl13benzothiazol2yl)pyrrolidine23dione
850728675
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(S4)C=C(C=C5)C)C6=CC=C(C=C6)C(C)(C)C)O
CC1Oc2c(C1)cc(cc2)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)c1nc2c(s1)cc(cc2)C)O
InChI=1SC32H30N2O4Sc1176122325(1417)3931(3323)3427(1971022(11819)32(34)5)26(29(36)30(34)37)28(35)209132421(1620)1518(2)3824h61416182735H15H215H3b2826+
MFCD05727914
ZINC000102770853
ZINC000102770860
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