Vitas-M small molecule compound
2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
Catalog ID
STK959292
SMILES O=C(Cn1nc(c(c1C)Cl)[N+](=O)[O-])Nc1ccc(cc1)c1nc2c(s1)cc(cc2)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 C20H16ClN5O3S MW 441.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClN5O3S/c1-11-3-8-15-16(9-11)30-20(23-15)13-4-6-14(7-5-13)22-17(27)10-25-12(2)18(21)19(24-25)26(28)29/h3-9H,10H2,1-2H3,(H,22,27)InChIKey
WWIHXCOXPPEJJU-UHFFFAOYSA-NSynonyms
489450-57-92(4chloro5methyl3nitro1Hpyrazol1yl)N(4(6methyl13benzothiazol2yl)phenyl)acetamide
2(4CHLORO5METHYL3NITROPYRAZOL1YL)N(4(6METHYL13BENZOTHIAZOL2YL)PHENYL)ACETAMIDE
489450579
CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CN4C(=C(C(=N4)(N+)(=O)(O))Cl)C
InChI=1SC20H16ClN5O3Sc111381516(911)3020(2315)134614(7513)2217(27)102512(2)18(21)19(2425)26(28)29h39H10H212H3(H2227)
MFCD02055717
O=C(Cn1nc(c(c1C)Cl)(N+)(=O)(O))Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C
ZINC000000647192
ZINC00647192
ZINC647192
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