Vitas-M small molecule compound
[3-(4-bromophenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl](thiophen-2-yl)methanone
Catalog ID
STK998325
SMILES Brc1ccc(cc1)C1=NN(C(C1)c1cccc(c1)[N+](=O)[O-])C(=O)c1cccs1
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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 C20H14BrN3O3S MW 456.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14BrN3O3S/c21-15-8-6-13(7-9-15)17-12-18(14-3-1-4-16(11-14)24(26)27)23(22-17)20(25)19-5-2-10-28-19/h1-11,18H,12H2InChIKey
IXAACJQPADAAQK-UHFFFAOYSA-NSynonyms
385395-21-1(3(4bromophenyl)5(3nitrophenyl)45dihydro1Hpyrazol1yl)(thiophen2yl)methanone
(5(4BROMOPHENYL)3(3NITROPHENYL)34DIHYDROPYRAZOL2YL)THIOPHEN2YLMETHANONE
385395211
Brc1ccc(cc1)C1=NN(C(C1)c1cccc(c1)(N+)(=O)(O))C(=O)c1cccs1
C1C(N(N=C1C2=CC=C(C=C2)Br)C(=O)C3=CC=CS3)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC20H14BrN3O3Sc21158613(7915)171218(1431416(1114)24(26)27)23(2217)20(25)1952102819h11118H12H2
MFCD03285940
ZINC000009216540
ZINC000009216541
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