Vitas-M small molecule compound
(2E)-2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide
Catalog ID
STK949564
SMILES N#C/C(=C\c1cccc(c1)[N+](=O)[O-])/C(=O)Nc1nnc(s1)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 C13H9N5O3S MW 315.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H9N5O3S/c1-8-16-17-13(22-8)15-12(19)10(7-14)5-9-3-2-4-11(6-9)18(20)21/h2-6H,1H3,(H,15,17,19)/b10-5+InChIKey
GQRQVZLXWFZBPZ-BJMVGYQFSA-NSynonyms
(2E)2CYANON(5METHYL(134THIADIAZOL2YL))3(3NITROPHENYL)PROP2ENAMIDE
(2E)2cyanoN(5methyl134thiadiazol2yl)3(3nitrophenyl)prop2enamide
(E)2CYANON(5METHYL134THIADIAZOL2YL)3(3NITROPHENYL)PROP2ENAMIDE
CC1=NN=C(S1)NC(=O)C(=CC2=CC(=CC=C2)(N+)(=O)(O))C#N
InChI=1SC13H9N5O3Sc18161713(228)1512(19)10(714)5932411(69)18(20)21h26H1H3(H151719)b105+
MFCD02654176
N#CC(=Cc1cccc(c1)(N+)(=O)(O))C(=O)Nc1nnc(s1)C
ZINC000002669891
ZINC02669891
ZINC2669891
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