Vitas-M small molecule compound
(2E)-3-(4-tert-butylphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide
Catalog ID
STK421023
SMILES O=C(Nc1nc2c(s1)cc(cc2)[N+](=O)[O-])/C=C/c1ccc(cc1)C(C)(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 C20H19N3O3S MW 381.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O3S/c1-20(2,3)14-7-4-13(5-8-14)6-11-18(24)22-19-21-16-10-9-15(23(25)26)12-17(16)27-19/h4-12H,1-3H3,(H,21,22,24)/b11-6+InChIKey
BPMQVGMUILRSQF-IZZDOVSWSA-NSynonyms
488821-75-6(2E)3(4tertbutylphenyl)N(6nitro13benzothiazol2yl)prop2enamide
(E)3(4TERTBUTYLPHENYL)N(6NITRO13BENZOTHIAZOL2YL)PROP2ENAMIDE
3(4TERTBUTYLPHENYL)N(6NITRO13BENZOTHIAZOL2YL)ACRYLAMIDE
488821756
CC(C)(C)C1=CC=C(C=C1)C=CC(=O)NC2=NC3=C(S2)C=C(C=C3)(N+)(=O)(O)
InChI=1SC20H19N3O3Sc120(23)147413(5814)61118(24)2219211610915(23(25)26)1217(16)2719h412H13H3(H212224)b116+
MFCD02371273
O=C(Nc1nc2c(s1)cc(cc2)(N+)(=O)(O))C=Cc1ccc(cc1)C(C)(C)C
ZINC000000671734
ZINC00671734
ZINC671734
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