Vitas-M small molecule compound
2-[(5E)-5-({1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-1H-indol-3-yl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-fluorophenyl)acetamide
Catalog ID
STL380440
SMILES Fc1ccc(cc1)NC(=O)CN1C(=O)S/C(=C/c2cn(c3c2cccc3)CC(=O)Nc2ccc3c(c2)OCO3)/C1=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 C29H21FN4O6S MW 572.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21FN4O6S/c30-18-5-7-19(8-6-18)31-27(36)15-34-28(37)25(41-29(34)38)11-17-13-33(22-4-2-1-3-21(17)22)14-26(35)32-20-9-10-23-24(12-20)40-16-39-23/h1-13H,14-16H2,(H,31,36)(H,32,35)/b25-11+InChIKey
PTQLJESPUJWXNS-OPEKNORGSA-NSynonyms
2((5E)5((1(2(13benzodioxol5ylamino)2oxoethyl)1Hindol3yl)methylidene)24dioxo13thiazolidin3yl)N(4fluorophenyl)acetamide
C1OC2=C(O1)C=C(C=C2)NC(=O)CN3C=C(C4=CC=CC=C43)C=C5C(=O)N(C(=O)S5)CC(=O)NC6=CC=C(C=C6)F
Fc1ccc(cc1)NC(=O)CN1C(=O)SC(=Cc2cn(c3c2cccc3)CC(=O)Nc2ccc3c(c2)OCO3)C1=O
InChI=1SC29H21FN4O6Sc30185719(8618)3127(36)153428(37)25(4129(34)38)11171333(22421321(17)22)1426(35)32209102324(1220)40163923h113H1416H2(H3136)(H3235)b2511+
MFCD04086650
N(13benzodioxol5yl)2(3((E)(3(2(4fluoroanilino)2oxoethyl)24dioxo13thiazolidin5ylidene)methyl)indol1yl)acetamide
ZINC000100353533
ZINC100353533
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