Vitas-M small molecule compound
methyl 3-({[2-(1,3-benzodioxol-5-yl)-4-oxopyrazolo[1,5-a]pyrazin-5(4H)-yl]acetyl}amino)thiophene-2-carboxylate
Catalog ID
STL095222
SMILES COC(=O)c1sccc1NC(=O)Cn1ccn2c(c1=O)cc(n2)c1ccc2c(c1)OCO2
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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 C21H16N4O6S MW 452.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N4O6S/c1-29-21(28)19-13(4-7-32-19)22-18(26)10-24-5-6-25-15(20(24)27)9-14(23-25)12-2-3-16-17(8-12)31-11-30-16/h2-9H,10-11H2,1H3,(H,22,26)InChIKey
KHNLZGQWSLWJDH-UHFFFAOYSA-NSynonyms
1189435-46-81189435468
COC(=O)C1=C(C=CS1)NC(=O)CN2C=CN3C(=CC(=N3)C4=CC5=C(C=C4)OCO5)C2=O
InChI=1SC21H16N4O6Sc12921(28)1913(473219)2218(26)1024562515(20(24)27)914(2325)12231617(812)31113016h29H1011H21H3(H2226)
methyl3(((2(13benzodioxol5yl)4oxopyrazolo(15a)pyrazin5(4H)yl)acetyl)amino)thiophene2carboxylate
methyl3((2(2(13benzodioxol5yl)4oxopyrazolo(15a)pyrazin5yl)acetyl)amino)thiophene2carboxylate
METHYL3(2(2(BENZO(D)(13)DIOXOL5YL)4OXOPYRAZOLO(15A)PYRAZIN5(4H)YL)ACETAMIDO)THIOPHENE2CARBOXYLATE
MFCD18788288
ZINC000035506079
ZINC35506079
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