Vitas-M small molecule compound
(4E)-1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STL057117
SMILES CCOc1cc(ccc1OCCC(C)C)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)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 C33H36N2O7S MW 604.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H36N2O7S/c1-7-40-26-16-21(8-11-25(26)41-13-12-17(2)3)28-27(29(37)22-9-10-24-23(15-22)14-18(4)42-24)30(38)32(39)35(28)33-34-19(5)31(43-33)20(6)36/h8-11,15-18,28,37H,7,12-14H2,1-6H3/b29-27+InChIKey
UPJWISLMVMGYCZ-ORIPQNMZSA-NSynonyms
(4E)1(5acetyl4methyl13thiazol2yl)5(3ethoxy4(3methylbutoxy)phenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NC(=C(S5)C(=O)C)C)OCCC(C)C
CCOc1cc(ccc1OCCC(C)C)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1sc(c(n1)C)C(=O)C
InChI=1SC33H36N2O7Sc1740261621(81125(26)41131217(2)3)2827(29(37)229102423(1522)1418(4)4224)30(38)32(39)35(28)333419(5)31(4333)20(6)36h81115182837H71214H216H3b2927+
MFCD05736433
ZINC000102899239
ZINC000102899247
Check stock
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