Vitas-M small molecule compound
(2E)-3-(4-chloro-3-nitrophenyl)-N-(2-propyl-2H-tetrazol-5-yl)prop-2-enamide
Catalog ID
STK281720
SMILES CCCn1nnc(n1)NC(=O)/C=C/c1ccc(c(c1)[N+](=O)[O-])Cl
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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 C13H13ClN6O3 MW 336.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13ClN6O3/c1-2-7-19-17-13(16-18-19)15-12(21)6-4-9-3-5-10(14)11(8-9)20(22)23/h3-6,8H,2,7H2,1H3,(H,15,17,21)/b6-4+InChIKey
YARKBCLFZRWDAX-GQCTYLIASA-NSynonyms
(2E)3(4chloro3nitrophenyl)N(2propyl2Htetrazol5yl)prop2enamide
(E)3(4CHLORO3NITROPHENYL)N(2PROPYLTETRAZOL5YL)PROP2ENAMIDE
CCCN1N=C(N=N1)NC(=O)C=CC2=CC(=C(C=C2)Cl)(N+)(=O)(O)
CCCn1nnc(n1)NC(=O)C=Cc1ccc(c(c1)(N+)(=O)(O))Cl
InChI=1SC13H13ClN6O3c127191713(161819)1512(21)6493510(14)11(89)20(22)23h368H27H21H3(H151721)b64+
MFCD03925786
ZINC000000568653
ZINC00568653
ZINC568653
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