Vitas-M small molecule compound
4-[(1Z)-1-{2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetyl]hydrazinylidene}ethyl]phenyl thiophene-2-carboxylate
Catalog ID
STL049121
SMILES O=C(Cn1nc(c(c1C)[N+](=O)[O-])C)N/N=C(\c1ccc(cc1)OC(=O)c1cccs1)/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 C20H19N5O5S MW 441.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O5S/c1-12(15-6-8-16(9-7-15)30-20(27)17-5-4-10-31-17)21-22-18(26)11-24-14(3)19(25(28)29)13(2)23-24/h4-10H,11H2,1-3H3,(H,22,26)/b21-12-InChIKey
JUPMBQPWBSNREK-MTJSOVHGSA-NSynonyms
716333-35-6(4((Z)N((2(35DIMETHYL4NITROPYRAZOL1YL)ACETYL)AMINO)CMETHYLCARBONIMIDOYL)PHENYL)THIOPHENE2CARBOXYLATE
(Z)4(1(2(2(35dimethyl4nitro1Hpyrazol1yl)acetyl)hydrazono)ethyl)phenylthiophene2carboxylate
4((1Z)1(2((35dimethyl4nitro1Hpyrazol1yl)acetyl)hydrazinylidene)ethyl)phenylthiophene2carboxylate
716333356
CC1=C(C(=NN1CC(=O)NN=C(C)C2=CC=C(C=C2)OC(=O)C3=CC=CS3)C)(N+)(=O)(O)
InChI=1SC20H19N5O5Sc112(156816(9715)3020(27)1754103117)212218(26)112414(3)19(25(28)29)13(2)2324h410H11H213H3(H2226)b2112
MFCD04187228
O=C(Cn1nc(c(c1C)(N+)(=O)(O))C)NN=C(c1ccc(cc1)OC(=O)c1cccs1)C
ZINC000009185408
ZINC33957616
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