Vitas-M small molecule compound

(2E)-1-(4-chloro-1-methyl-1H-pyrazol-3-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-en-1-one

Catalog ID
STL393838
SMILES Cn1cc(c(n1)C(=O)/C=C/c1cc2OCOc2cc1[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 C14H10ClN3O5 MW 335.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H10ClN3O5/c1-17-6-9(15)14(16-17)11(19)3-2-8-4-12-13(23-7-22-12)5-10(8)18(20)21/h2-6H,7H2,1H3/b3-2+
InChIKey
INWQYLXUURZHGR-NSCUHMNNSA-N
Synonyms
1005637-51-3
(2E)1(4CHLORO1METHYL1HPYRAZOL3YL)3(6NITRO13BENZODIOXOL5YL)PROP2EN1ONE
(E)1(4chloro1methylpyrazol3yl)3(6nitro13benzodioxol5yl)prop2en1one
1005637513
CN1C=C(C(=N1)C(=O)C=CC2=CC3=C(C=C2(N+)(=O)(O))OCO3)Cl
Cn1cc(c(n1)C(=O)C=Cc1cc2OCOc2cc1(N+)(=O)(O))Cl
InChI=1SC14H10ClN3O5c11769(15)14(1617)11(19)32841213(2372212)510(8)18(20)21h26H7H21H3b32+
MFCD04135136
ZINC000006925489
ZINC06925489
ZINC6925489

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Available files

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