Vitas-M small molecule compound
N-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide
Catalog ID
STK315371
SMILES O=C(c1ccc(cc1)Cn1nc(c(c1C)[N+](=O)[O-])C)Nc1nc2c(s1)cccc2
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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 C20H17N5O3S MW 407.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N5O3S/c1-12-18(25(27)28)13(2)24(23-12)11-14-7-9-15(10-8-14)19(26)22-20-21-16-5-3-4-6-17(16)29-20/h3-10H,11H2,1-2H3,(H,21,22,26)InChIKey
BOXOUHWQRIVXCO-UHFFFAOYSA-NSynonyms
1005663-63-71005663637
CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=NC4=CC=CC=C4S3)C)(N+)(=O)(O)
InChI=1SC20H17N5O3Sc11218(25(27)28)13(2)24(2312)11147915(10814)19(26)22202116534617(16)2920h310H11H212H3(H212226)
MFCD00849909
N(13benzothiazol2yl)4((35dimethyl4nitro1Hpyrazol1yl)methyl)benzamide
N(13BENZOTHIAZOL2YL)4((35DIMETHYL4NITROPYRAZOL1YL)METHYL)BENZAMIDE
O=C(c1ccc(cc1)Cn1nc(c(c1C)(N+)(=O)(O))C)Nc1nc2c(s1)cccc2
ZINC000002755907
ZINC02755907
ZINC2755907
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