Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-2-[3-phenyl-4-(1H-pyrrol-1-yl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetamide
Catalog ID
STL273752
SMILES O=C(Cn1nc(n(c1=S)n1cccc1)c1ccccc1)Nc1ccc2c(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 C21H17N5O3S MW 419.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5O3S/c27-19(22-16-8-9-17-18(12-16)29-14-28-17)13-25-21(30)26(24-10-4-5-11-24)20(23-25)15-6-2-1-3-7-15/h1-12H,13-14H2,(H,22,27)InChIKey
RXERITKZFZABQZ-UHFFFAOYSA-NSynonyms
C1OC2=C(O1)C=C(C=C2)NC(=O)CN3C(=S)N(C(=N3)C4=CC=CC=C4)N5C=CC=C5
InChI=1SC21H17N5O3Sc2719(2216891718(1216)29142817)132521(30)26(2410451124)20(2325)156213715h112H1314H2(H2227)
MFCD07422976
N(13benzodioxol5yl)2(3phenyl4(1Hpyrrol1yl)5thioxo45dihydro1H124triazol1yl)acetamide
N(13benzodioxol5yl)2(3phenyl4pyrrol1yl5sulfanylidene124triazol1yl)acetamide
N(2HBENZO(34D)13DIOXOLEN5YL)2(3PHENYL4PYRROLYL5THIOXO(124TRIAZOLINYL))ACETAMIDE
ZINC000016777816
ZINC16777816
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