Vitas-M small molecule compound

N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide

Catalog ID
STK073382
SMILES COc1cc(C(=O)Nc2nc3c(s2)C(=O)CC(C3)(C)C)c(cc1OC)[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 C18H19N3O6S MW 405.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3O6S/c1-18(2)7-10-15(12(22)8-18)28-17(19-10)20-16(23)9-5-13(26-3)14(27-4)6-11(9)21(24)25/h5-6H,7-8H2,1-4H3,(H,19,20,23)
InChIKey
LHCDYLYQGFHTQT-UHFFFAOYSA-N
Synonyms
606922-97-8
(45DIMETHOXY2NITROPHENYL)N(55DIMETHYL7OXO(456TRIHYDROBENZOTHIAZOL2YL))CARBOXAMIDE
606922978
CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)C3=CC(=C(C=C3(N+)(=O)(O))OC)OC)C
COc1cc(C(=O)Nc2nc3c(s2)C(=O)CC(C3)(C)C)c(cc1OC)(N+)(=O)(O)
InChI=1SC18H19N3O6Sc118(2)71015(12(22)818)2817(1910)2016(23)9513(263)14(274)611(9)21(24)25h56H78H214H3(H192023)
MFCD03639916
N(55dimethyl7oxo4567tetrahydro13benzothiazol2yl)45dimethoxy2nitrobenzamide
N(55DIMETHYL7OXO46DIHYDRO13BENZOTHIAZOL2YL)45DIMETHOXY2NITROBENZAMIDE
STK073382
ZINC000001132806
ZINC01132806
ZINC1132806

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.