Vitas-M small molecule compound
ethyl 4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-2-[(3-methylphenyl)amino]-1,3-thiazole-5-carboxylate
Catalog ID
STL412535
SMILES CCOC(=O)c1sc(nc1Cn1nc(c(c1C)[N+](=O)[O-])C)Nc1cccc(c1)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 C19H21N5O4S MW 415.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N5O4S/c1-5-28-18(25)17-15(10-23-13(4)16(24(26)27)12(3)22-23)21-19(29-17)20-14-8-6-7-11(2)9-14/h6-9H,5,10H2,1-4H3,(H,20,21)InChIKey
SHJYDURNOKWDBZ-UHFFFAOYSA-NSynonyms
1020724-37-11020724371
CCOC(=O)C1=C(N=C(S1)NC2=CC=CC(=C2)C)CN3C(=C(C(=N3)C)(N+)(=O)(O))C
CCOC(=O)c1sc(nc1Cn1nc(c(c1C)(N+)(=O)(O))C)Nc1cccc(c1)C
ethyl4((35dimethyl4nitro1Hpyrazol1yl)methyl)2((3methylphenyl)amino)13thiazole5carboxylate
ethyl4((35dimethyl4nitropyrazol1yl)methyl)2(3methylanilino)13thiazole5carboxylate
InChI=1SC19H21N5O4Sc152818(25)1715(102313(4)16(24(26)27)12(3)2223)2119(2917)201486711(2)914h69H510H214H3(H2021)
MFCD08558172
ZINC000036613082
ZINC36613082
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