Vitas-M small molecule compound
(4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(4-ethylphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STL042198
SMILES CCc1ccc(cc1)C1N(c2sc3c(n2)c(C)cc(c3)C)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)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 C31H28N2O4S MW 524.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N2O4S/c1-5-19-6-8-20(9-7-19)27-25(28(34)21-10-11-23-22(15-21)14-18(4)37-23)29(35)30(36)33(27)31-32-26-17(3)12-16(2)13-24(26)38-31/h6-13,15,18,27,34H,5,14H2,1-4H3/b28-25+InChIKey
XRVNUZRLASPJSR-AZPGRJICSA-NSynonyms
850762-11-7(4E)1(46dimethyl13benzothiazol2yl)5(4ethylphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
850762117
CCC1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NC6=C(C=C(C=C6S5)C)C
CCc1ccc(cc1)C1N(c2sc3c(n2)c(C)cc(c3)C)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
InChI=1SC31H28N2O4Sc15196820(9719)2725(28(34)2110112322(1521)1418(4)3723)29(35)30(36)33(27)31322617(3)1216(2)1324(26)3831h61315182734H514H214H3b2825+
MFCD05730509
ZINC000102869287
ZINC000102869296
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