Vitas-M small molecule compound
(4Z)-4-[2-(2,5-dimethylphenyl)hydrazinylidene]-5-methyl-2-[5-(3-nitrophenyl)-1,3-thiazol-2-yl]-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK087093
SMILES Cc1ccc(c(c1)N/N=C\1/C(=NN(C1=O)c1ncc(s1)c1cccc(c1)[N+](=O)[O-])C)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 C21H18N6O3S MW 434.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N6O3S/c1-12-7-8-13(2)17(9-12)23-24-19-14(3)25-26(20(19)28)21-22-11-18(31-21)15-5-4-6-16(10-15)27(29)30/h4-11,23H,1-3H3/b24-19-InChIKey
CVOOOSSBGVPHEF-CLCOLTQESA-NSynonyms
(4Z)4((25dimethylphenyl)hydrazinylidene)5methyl2(5(3nitrophenyl)13thiazol2yl)pyrazol3one
(4Z)4(2(25DIMETHYLPHENYL)HYDRAZINYLIDENE)5METHYL2(5(3NITROPHENYL)13THIAZOL2YL)24DIHYDRO3HPYRAZOL3ONE
CC1=CC(=C(C=C1)C)NN=C2C(=NN(C2=O)C3=NC=C(S3)C4=CC(=CC=C4)(N+)(=O)(O))C
Cc1ccc(c(c1)NN=C1C(=NN(C1=O)c1ncc(s1)c1cccc(c1)(N+)(=O)(O))C)C
InChI=1SC21H18N6O3Sc1127813(2)17(912)23241914(3)2526(20(19)28)21221118(3121)1554616(1015)27(29)30h41123H13H3b2419
MFCD08677883
STK087093
ZINC000013894070
ZINC101489556
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