Vitas-M small molecule compound
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide
Catalog ID
STK019255
SMILES COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1nc2c(s1)C(=O)CC(C2)(C)C
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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 C17H17N3O5S MW 375.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O5S/c1-17(2)7-10-14(12(21)8-17)26-16(18-10)19-15(22)9-4-5-13(25-3)11(6-9)20(23)24/h4-6H,7-8H2,1-3H3,(H,18,19,22)InChIKey
BNUPBCXRWVQOER-UHFFFAOYSA-NSynonyms
606922-91-2606922912
CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)C3=CC(=C(C=C3)OC)(N+)(=O)(O))C
COc1ccc(cc1(N+)(=O)(O))C(=O)Nc1nc2c(s1)C(=O)CC(C2)(C)C
InChI=1SC17H17N3O5Sc117(2)71014(12(21)817)2616(1810)1915(22)94513(253)11(69)20(23)24h46H78H213H3(H181922)
MFCD03639828
N(55DIMETHYL7OXO(456TRIHYDROBENZOTHIAZOL2YL))(4METHOXY3NITROPHENYL)CARBOXAMIDE
N(55dimethyl7oxo4567tetrahydro13benzothiazol2yl)4methoxy3nitrobenzamide
N(55DIMETHYL7OXO46DIHYDRO13BENZOTHIAZOL2YL)4METHOXY3NITROBENZAMIDE
STK019255
ZINC000002830530
ZINC02830530
ZINC2830530
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