Vitas-M small molecule compound
methyl 4-[(Z)-{4-oxo-3-[3-oxo-3-(tricyclo[3.3.1.1~3,7~]dec-1-ylamino)propyl]-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]benzoate
Catalog ID
STK836577
SMILES COC(=O)c1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CCC(=O)NC12CC3CC(C2)CC(C1)C3
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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 C25H28N2O4S2 MW 484.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O4S2/c1-31-23(30)19-4-2-15(3-5-19)11-20-22(29)27(24(32)33-20)7-6-21(28)26-25-12-16-8-17(13-25)10-18(9-16)14-25/h2-5,11,16-18H,6-10,12-14H2,1H3,(H,26,28)/b20-11-InChIKey
IRYBCJALVHAPKW-JAIQZWGSSA-NSynonyms
COC(=O)C1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCC(=O)NC34CC5CC(C3)CC(C5)C4
COC(=O)c1ccc(cc1)C=C1SC(=S)N(C1=O)CCC(=O)NC12CC3CC(C2)CC(C1)C3
InChI=1SC25H28N2O4S2c13123(30)194215(3519)112022(29)27(24(32)3320)7621(28)26251216817(1325)1018(916)1425h25111618H6101214H21H3(H2628)b2011
methyl4((Z)(3(3((3s5s7s)adamantan1ylamino)3oxopropyl)4oxo2thioxothiazolidin5ylidene)methyl)benzoate
METHYL4((Z)(3(3(1ADAMANTYLAMINO)3OXOPROPYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)BENZOATE
methyl4((Z)(4oxo3(3oxo3(tricyclo(3311~37~)dec1ylamino)propyl)2thioxo13thiazolidin5ylidene)methyl)benzoate
MFCD02994669
ZINC000013809887
ZINC13809887
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Check stock on Vitas-MAvailable files
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