Vitas-M small molecule compound
methyl 4-[(3E)-3-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate
Catalog ID
STL042598
SMILES COC(=O)c1ccc(cc1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)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 C30H24N2O6S MW 540.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24N2O6S/c1-15-4-10-21-23(12-15)39-30(31-21)32-25(17-5-7-18(8-6-17)29(36)37-3)24(27(34)28(32)35)26(33)19-9-11-22-20(14-19)13-16(2)38-22/h4-12,14,16,25,33H,13H2,1-3H3/b26-24+InChIKey
DINGZXPGZDTWAZ-SHHOIMCASA-NSynonyms
877792-68-2877792682
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(=O)OC)O
COC(=O)c1ccc(cc1)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)C
InChI=1SC30H24N2O6Sc1154102123(1215)3930(3121)3225(175718(8617)29(36)373)24(27(34)28(32)35)26(33)199112220(1419)1316(2)3822h41214162533H13H213H3b2624+
methyl4((3E)3(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(6methyl13benzothiazol2yl)45dioxopyrrolidin2yl)benzoate
MFCD05724423
ZINC000102870033
ZINC000102870044
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