Vitas-M small molecule compound
(4E)-5-(3,4-diethoxyphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STK570064
SMILES CCOc1cc(ccc1OCC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)C
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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 C33H32N2O6S MW 584.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32N2O6S/c1-6-39-24-11-8-20(16-25(24)40-7-2)29-27(30(36)21-9-10-23-22(15-21)14-19(5)41-23)31(37)32(38)35(29)33-34-28-18(4)12-17(3)13-26(28)42-33/h8-13,15-16,19,29,36H,6-7,14H2,1-5H3/b30-27+InChIKey
DGHFKCVJCFLMKK-KDJFERLWSA-NSynonyms
893700-13-5(4E)5(34diethoxyphenyl)1(46dimethyl13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
893700135
CCOC1=C(C=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)OCC
CCOc1cc(ccc1OCC)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)C
InChI=1SC33H32N2O6Sc16392411820(1625(24)4072)2927(30(36)219102322(1521)1419(5)4123)31(37)32(38)35(29)33342818(4)1217(3)1326(28)4233h8131516192936H6714H215H3b3027+
MFCD05737769
ZINC000102560354
ZINC000102655868
Check stock
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Check stock on Vitas-MAvailable files
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