Vitas-M small molecule compound
(4Z)-2-(4-tert-butyl-1,3-thiazol-2-yl)-5-(4-nitrophenyl)-4-{2-[2-(piperidin-1-ylcarbonyl)phenyl]hydrazinylidene}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK036293
SMILES O=C(c1ccccc1N/N=C/1\C(=O)N(N=C1c1ccc(cc1)[N+](=O)[O-])c1scc(n1)C(C)(C)C)N1CCCCC1
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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 C28H29N7O4S MW 559.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N7O4S/c1-28(2,3)22-17-40-27(29-22)34-26(37)24(23(32-34)18-11-13-19(14-12-18)35(38)39)31-30-21-10-6-5-9-20(21)25(36)33-15-7-4-8-16-33/h5-6,9-14,17,30H,4,7-8,15-16H2,1-3H3/b31-24-InChIKey
KXXAXRSLANRVJV-QLTSDVKISA-NSynonyms
(4Z)2(4TERTBUTYL13THIAZOL2YL)5(4NITROPHENYL)4((2(PIPERIDINE1CARBONYL)PHENYL)HYDRAZINYLIDENE)PYRAZOL3ONE
(4Z)2(4TERTBUTYL13THIAZOL2YL)5(4NITROPHENYL)4(2(2(PIPERIDIN1YLCARBONYL)PHENYL)HYDRAZINYLIDENE)24DIHYDRO3HPYRAZOL3ONE
1(4TERTBUTYL13THIAZOL2YL)3(4NITROPHENYL)1HPYRAZOLE45DIONE4((2(1PIPERIDINYLCARBONYL)PHENYL)HYDRAZONE)
CC(C)(C)C1=CSC(=N1)N2C(=O)C(=NNC3=CC=CC=C3C(=O)N4CCCCC4)C(=N2)C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC28H29N7O4Sc128(23)22174027(2922)3426(37)24(23(3234)18111319(141218)35(38)39)3130211065920(21)25(36)33157481633h569141730H4781516H213H3b3124
MFCD02026078
O=C(c1ccccc1NN=C1C(=O)N(N=C1c1ccc(cc1)(N+)(=O)(O))c1scc(n1)C(C)(C)C)N1CCCCC1
STK036293
ZINC000008398379
ZINC100074931
Check stock
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Check stock on Vitas-MAvailable files
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