Vitas-M small molecule compound
(5Z)-5-(3-nitrobenzylidene)-2-{4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}-1,3-thiazol-4(5H)-one
Catalog ID
STL402815
SMILES O=C1N=C(S/C/1=C\c1cccc(c1)[N+](=O)[O-])N1CCN(CC1)Cc1c(C)nn(c1C)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 C21H24N6O3S MW 440.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N6O3S/c1-14-18(15(2)24(3)23-14)13-25-7-9-26(10-8-25)21-22-20(28)19(31-21)12-16-5-4-6-17(11-16)27(29)30/h4-6,11-12H,7-10,13H2,1-3H3/b19-12-InChIKey
CYCOULDYSXEEQB-UNOMPAQXSA-NSynonyms
1006994-85-9(5Z)5((3nitrophenyl)methylidene)2(4((135trimethylpyrazol4yl)methyl)piperazin1yl)13thiazol4one
(5Z)5(3nitrobenzylidene)2(4((135trimethyl1Hpyrazol4yl)methyl)piperazin1yl)13thiazol4(5H)one
1006994859
CC1=C(C(=NN1C)C)CN2CCN(CC2)C3=NC(=O)C(=CC4=CC(=CC=C4)(N+)(=O)(O))S3
InChI=1SC21H24N6O3Sc11418(15(2)24(3)2314)13257926(10825)212220(28)19(3121)121654617(1116)27(29)30h461112H71013H213H3b1912
MFCD08557693
O=C1N=C(SC1=Cc1cccc(c1)(N+)(=O)(O))N1CCN(CC1)Cc1c(C)nn(c1C)C
ZINC000020606701
ZINC20606701
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