Vitas-M small molecule compound
ethyl 4-[3-(3-nitrophenyl)-7-oxo-5-thioxodihydro-1H-imidazo[1,5-c][1,3]thiazol-6(5H)-yl]benzoate
Catalog ID
STK775520
SMILES CCOC(=O)c1ccc(cc1)N1C(=S)N2C(C1=O)CSC2c1cccc(c1)[N+](=O)[O-]
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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 C20H17N3O5S2 MW 443.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O5S2/c1-2-28-19(25)12-6-8-14(9-7-12)21-17(24)16-11-30-18(22(16)20(21)29)13-4-3-5-15(10-13)23(26)27/h3-10,16,18H,2,11H2,1H3InChIKey
IUNJKFPSVOMUDO-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3CSC(N3C2=S)C4=CC(=CC=C4)(N+)(=O)(O)
CCOC(=O)c1ccc(cc1)N1C(=S)N2C(C1=O)CSC2c1cccc(c1)(N+)(=O)(O)
ETHYL4(3(3NITROPHENYL)7OXO5SULFANYLIDENE37ADIHYDRO1HIMIDAZO(15C)(13)THIAZOL6YL)BENZOATE
ethyl4(3(3nitrophenyl)7oxo5thioxodihydro1Himidazo(15c)(13)thiazol6(5H)yl)benzoate
InChI=1SC20H17N3O5S2c122819(25)126814(9712)2117(24)16113018(22(16)20(21)29)1343515(1013)23(26)27h3101618H211H21H3
MFCD05257483
ZINC000012410950
ZINC000012410955
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