Vitas-M small molecule compound
5-(azepan-1-yl)-2-{(E)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1,3-oxazole-4-carbonitrile
Catalog ID
STK707400
SMILES N#Cc1nc(oc1N1CCCCCC1)/C=C\1/SC(=S)N(C1=O)Cc1ccc2c(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 C22H20N4O4S2 MW 468.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O4S2/c23-11-15-21(25-7-3-1-2-4-8-25)30-19(24-15)10-18-20(27)26(22(31)32-18)12-14-5-6-16-17(9-14)29-13-28-16/h5-6,9-10H,1-4,7-8,12-13H2/b18-10+InChIKey
MHQIVNOPTGSRQN-VCHYOVAHSA-NSynonyms
848670-72-4(E)5(azepan1yl)2((3(benzo(d)(13)dioxol5ylmethyl)4oxo2thioxothiazolidin5ylidene)methyl)oxazole4carbonitrile
5(AZEPAN1YL)2((E)(3(13BENZODIOXOL5YLMETHYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)13OXAZOLE4CARBONITRILE
5(azepan1yl)2((E)(3(13benzodioxol5ylmethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)13oxazole4carbonitrile
848670724
C1CCCN(CC1)C2=C(N=C(O2)C=C3C(=O)N(C(=S)S3)CC4=CC5=C(C=C4)OCO5)C#N
InChI=1SC22H20N4O4S2c23111521(2573124825)3019(2415)101820(27)26(22(31)3218)1214561617(914)29132816h56910H14781213H2b1810+
MFCD04190512
N#Cc1nc(oc1N1CCCCCC1)C=C1SC(=S)N(C1=O)Cc1ccc2c(c1)OCO2
ZINC000013779009
ZINC13779009
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