Vitas-M small molecule compound
5-(azepan-1-yl)-2-{(E)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1,3-oxazole-4-carbonitrile
Catalog ID
STK905990
SMILES N#Cc1nc(oc1N1CCCCCC1)/C=C\1/SC(=S)N(C1=O)CCc1ccccc1
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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 C22H22N4O2S2 MW 438.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O2S2/c23-15-17-21(25-11-6-1-2-7-12-25)28-19(24-17)14-18-20(27)26(22(29)30-18)13-10-16-8-4-3-5-9-16/h3-5,8-9,14H,1-2,6-7,10-13H2/b18-14+InChIKey
ONVKXNGIADQYLX-NBVRZTHBSA-NSynonyms
847340-35-6(E)5(azepan1yl)2((4oxo3phenethyl2thioxothiazolidin5ylidene)methyl)oxazole4carbonitrile
5(azepan1yl)2((E)(4oxo3(2phenylethyl)2sulfanylidene13thiazolidin5ylidene)methyl)13oxazole4carbonitrile
5(azepan1yl)2((E)(4oxo3(2phenylethyl)2thioxo13thiazolidin5ylidene)methyl)13oxazole4carbonitrile
5(AZEPAN1YL)2((E)(4OXO3PHENETHYL2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)13OXAZOLE4CARBONITRILE
847340356
C1CCCN(CC1)C2=C(N=C(O2)C=C3C(=O)N(C(=S)S3)CCC4=CC=CC=C4)C#N
InChI=1SC22H22N4O2S2c23151721(251161271225)2819(2417)141820(27)26(22(29)3018)1310168435916h358914H12671013H2b1814+
MFCD04180284
N#Cc1nc(oc1N1CCCCCC1)C=C1SC(=S)N(C1=O)CCc1ccccc1
ZINC000009158738
ZINC09158738
ZINC9158738
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