Vitas-M small molecule compound
(2E)-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide
Catalog ID
STK296808
SMILES O=C(Nc1nc2c(s1)C(=O)CC(C2)(C)C)/C=C/c1cccc(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 C18H17N3O4S MW 371.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O4S/c1-18(2)9-13-16(14(22)10-18)26-17(19-13)20-15(23)7-6-11-4-3-5-12(8-11)21(24)25/h3-8H,9-10H2,1-2H3,(H,19,20,23)/b7-6+InChIKey
XNFYMMQYSRAFCF-VOTSOKGWSA-NSynonyms
326615-41-2(2E)N(55DIMETHYL7OXO(456TRIHYDROBENZOTHIAZOL2YL))3(3NITROPHENYL)PROP2ENAMIDE
(2E)N(55dimethyl7oxo4567tetrahydro13benzothiazol2yl)3(3nitrophenyl)prop2enamide
(E)N(55DIMETHYL7OXO46DIHYDRO13BENZOTHIAZOL2YL)3(3NITROPHENYL)PROP2ENAMIDE
326615412
CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)C=CC3=CC(=CC=C3)(N+)(=O)(O))C
InChI=1SC18H17N3O4Sc118(2)91316(14(22)1018)2617(1913)2015(23)761143512(811)21(24)25h38H910H212H3(H192023)b76+
MFCD02701995
O=C(Nc1nc2c(s1)C(=O)CC(C2)(C)C)C=Cc1cccc(c1)(N+)(=O)(O)
ZINC000001128787
ZINC01128787
ZINC1128787
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