Vitas-M small molecule compound
(4Z)-2-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4-[2-(2-methyl-5-nitrophenyl)hydrazinylidene]-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK028761
SMILES COc1ccc(cc1)c1cnc(s1)N1N=C(/C(=N/Nc2cc(ccc2C)[N+](=O)[O-])/C1=O)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 C21H18N6O4S MW 450.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N6O4S/c1-12-4-7-15(27(29)30)10-17(12)23-24-19-13(2)25-26(20(19)28)21-22-11-18(32-21)14-5-8-16(31-3)9-6-14/h4-11,23H,1-3H3/b24-19-InChIKey
MGOVUWLJDZFGCA-CLCOLTQESA-NSynonyms
(4Z)2(5(4methoxyphenyl)13thiazol2yl)5methyl4((2methyl5nitrophenyl)hydrazinylidene)pyrazol3one
(4Z)2(5(4METHOXYPHENYL)13THIAZOL2YL)5METHYL4(2(2METHYL5NITROPHENYL)HYDRAZINYLIDENE)24DIHYDRO3HPYRAZOL3ONE
CC1=C(C=C(C=C1)(N+)(=O)(O))NN=C2C(=NN(C2=O)C3=NC=C(S3)C4=CC=C(C=C4)OC)C
COc1ccc(cc1)c1cnc(s1)N1N=C(C(=NNc2cc(ccc2C)(N+)(=O)(O))C1=O)C
InChI=1SC21H18N6O4Sc1124715(27(29)30)1017(12)23241913(2)2526(20(19)28)21221118(3221)145816(313)9614h41123H13H3b2419
MFCD08050195
STK028761
ZINC000013940779
ZINC101412391
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