Vitas-M small molecule compound
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-ethoxy-N-[(4-ethoxy-3-nitrophenyl)carbonyl]-3-nitrobenzamide
Catalog ID
STK012450
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=O)N(C(=O)c1ccc(c(c1)[N+](=O)[O-])OCC)C1=NCCS1
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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 C21H20N4O8S MW 488.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O8S/c1-3-32-17-7-5-13(11-15(17)24(28)29)19(26)23(21-22-9-10-34-21)20(27)14-6-8-18(33-4-2)16(12-14)25(30)31/h5-8,11-12H,3-4,9-10H2,1-2H3InChIKey
ALLBGFQHVNIZPN-UHFFFAOYSA-NSynonyms
CCOC1=C(C=C(C=C1)C(=O)N(C2=NCCS2)C(=O)C3=CC(=C(C=C3)OCC)(N+)(=O)(O))(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)N(C(=O)c1ccc(c(c1)(N+)(=O)(O))OCC)C1=NCCS1
InChI=1SC21H20N4O8Sc1332177513(1115(17)24(28)29)19(26)23(21229103421)20(27)146818(3342)16(1214)25(30)31h581112H34910H212H3
MFCD03307105
N(45DIHYDRO13THIAZOL2YL)4ETHOXYN((4ETHOXY3NITROPHENYL)CARBONYL)3NITROBENZAMIDE
N(45DIHYDRO13THIAZOL2YL)4ETHOXYN(4ETHOXY3NITROBENZOYL)3NITROBENZAMIDE
STK012450
ZINC000008983502
ZINC08983502
ZINC8983502
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