Vitas-M small molecule compound
2,4-dinitro-N-[(2E)-5-(pyridin-3-yl)-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Catalog ID
STL056800
SMILES O=C(c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/N=c/1\[nH]nc(s1)c1cccnc1
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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 C14H8N6O5S MW 372.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H8N6O5S/c21-12(10-4-3-9(19(22)23)6-11(10)20(24)25)16-14-18-17-13(26-14)8-2-1-5-15-7-8/h1-7H,(H,16,18,21)InChIKey
NJQPEMGIOPDTEE-UHFFFAOYSA-NSynonyms
714917-55-224dinitroN((2E)5(pyridin3yl)134thiadiazol2(3H)ylidene)benzamide
24DINITRON(5(PYRIDIN3YL)134THIADIAZOL2YL)BENZAMIDE
24DINITRON(5PYRIDIN3YL134THIADIAZOL2YL)BENZAMIDE
714917552
C1=CC(=CN=C1)C2=NN=C(S2)NC(=O)C3=C(C=C(C=C3)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC14H8N6O5Sc2112(10439(19(22)23)611(10)20(24)25)1614181713(2614)82151578h17H(H161821)
MFCD05732642
O=C(c1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))N=c1(nH)nc(s1)c1cccnc1
ZINC000009357333
ZINC9357333
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