Vitas-M small molecule compound
(2E)-3-(3-nitrophenyl)-1-[2-(prop-2-yn-1-ylsulfanyl)-1H-benzimidazol-1-yl]prop-2-en-1-one
Catalog ID
STK806718
SMILES C#CCSc1nc2c(n1C(=O)/C=C/c1cccc(c1)[N+](=O)[O-])cccc2
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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 C19H13N3O3S MW 363.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13N3O3S/c1-2-12-26-19-20-16-8-3-4-9-17(16)21(19)18(23)11-10-14-6-5-7-15(13-14)22(24)25/h1,3-11,13H,12H2/b11-10+InChIKey
SXHRRAIYNNEIGN-ZHACJKMWSA-NSynonyms
324779-66-0(2E)3(3nitrophenyl)1(2(prop2yn1ylsulfanyl)1Hbenzimidazol1yl)prop2en1one
(2E)3(3NITROPHENYL)1(2PROP2YNYLTHIOBENZIMIDAZOLYL)PROP2EN1ONE
(E)3(3nitrophenyl)1(2(prop2yn1ylthio)1Hbenzo(d)imidazol1yl)prop2en1one
(E)3(3NITROPHENYL)1(2PROP2YNYLSULFANYLBENZIMIDAZOL1YL)PROP2EN1ONE
324779660
C#CCSC1=NC2=CC=CC=C2N1C(=O)C=CC3=CC(=CC=C3)(N+)(=O)(O)
C#CCSc1nc2c(n1C(=O)C=Cc1cccc(c1)(N+)(=O)(O))cccc2
InChI=1SC19H13N3O3Sc121226192016834917(16)21(19)18(23)11101465715(1314)22(24)25h131113H12H2b1110+
MFCD01795559
ZINC000004247417
ZINC04247417
ZINC4247417
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