Vitas-M small molecule compound

N'-{(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}-3,4,5-triethoxybenzohydrazide

Catalog ID
STK143155
SMILES CCCC1=NN(C(=O)/C/1=C(\NNC(=O)c1cc(OCC)c(c(c1)OCC)OCC)/C)c1nc2c(s1)cccc2

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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 C28H33N5O5S MW 551.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33N5O5S/c1-6-12-20-24(27(35)33(32-20)28-29-19-13-10-11-14-23(19)39-28)17(5)30-31-26(34)18-15-21(36-7-2)25(38-9-4)22(16-18)37-8-3/h10-11,13-16,30H,6-9,12H2,1-5H3,(H,31,34)/b24-17-
InChIKey
RCHXBSVHIDSVPW-ULJHMMPZSA-N
Synonyms
519041-33-9
(Z)N(1(1(benzo(d)thiazol2yl)5oxo3propyl1Hpyrazol4(5H)ylidene)ethyl)345triethoxybenzohydrazide
519041339
CCCC1=NN(C(=O)C1=C(C)NNC(=O)C2=CC(=C(C(=C2)OCC)OCC)OCC)C3=NC4=CC=CC=C4S3
CCCC1=NN(C(=O)C1=C(NNC(=O)c1cc(OCC)c(c(c1)OCC)OCC)C)c1nc2c(s1)cccc2
InChI=1SC28H33N5O5Sc16122024(27(35)33(3220)2829191310111423(19)3928)17(5)303126(34)181521(3672)25(3894)22(1618)3783h1011131630H6912H215H3(H3134)b2417
MFCD03163290
N((1Z)1(1(13BENZOTHIAZOL2YL)5OXO3PROPYL15DIHYDRO4HPYRAZOL4YLIDENE)ETHYL)345TRIETHOXYBENZOHYDRAZIDE
N((1Z)1(1(13BENZOTHIAZOL2YL)5OXO3PROPYLPYRAZOL4YLIDENE)ETHYL)345TRIETHOXYBENZOHYDRAZIDE
ZINC000100423277
ZINC100423277

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.