Vitas-M small molecule compound

(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK071223
SMILES Clc1ccc(cc1)SCC1=NN(C(=O)/C/1=C\c1ccc2c(c1)OCO2)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 C25H16ClN3O3S2 MW 506.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H16ClN3O3S2/c26-16-6-8-17(9-7-16)33-13-20-18(11-15-5-10-21-22(12-15)32-14-31-21)24(30)29(28-20)25-27-19-3-1-2-4-23(19)34-25/h1-12H,13-14H2/b18-11-
InChIKey
VNEFEEMHVVBGNG-WQRHYEAKSA-N
Synonyms

(4Z)4(13BENZODIOXOL5YLMETHYLIDENE)2(13BENZOTHIAZOL2YL)5(((4CHLOROPHENYL)SULFANYL)METHYL)24DIHYDRO3HPYRAZOL3ONE
(4Z)4(13BENZODIOXOL5YLMETHYLIDENE)2(13BENZOTHIAZOL2YL)5((4CHLOROPHENYL)SULFANYLMETHYL)PYRAZOL3ONE
C1OC2=C(O1)C=C(C=C2)C=C3C(=NN(C3=O)C4=NC5=CC=CC=C5S4)CSC6=CC=C(C=C6)Cl
Clc1ccc(cc1)SCC1=NN(C(=O)C1=Cc1ccc2c(c1)OCO2)c1nc2c(s1)cccc2
InChI=1SC25H16ClN3O3S2c26166817(9716)33132018(11155102122(1215)32143121)24(30)29(2820)252719312423(19)3425h112H1314H2b1811
MFCD08051984
STK071223
ZINC000009635698
ZINC09635698
ZINC9635698

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Available files

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