Vitas-M small molecule compound

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

Catalog ID
STK024962
SMILES Cc1ccc(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 C26H19N3O3S2 MW 485.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19N3O3S2/c1-16-6-9-18(10-7-16)33-14-21-19(12-17-8-11-22-23(13-17)32-15-31-22)25(30)29(28-21)26-27-20-4-2-3-5-24(20)34-26/h2-13H,14-15H2,1H3/b19-12+
InChIKey
IJHKGGZXMPJDPK-XDHOZWIPSA-N
Synonyms

(4E)4(13BENZODIOXOL5YLMETHYLIDENE)2(13BENZOTHIAZOL2YL)5(((4METHYLPHENYL)SULFANYL)METHYL)24DIHYDRO3HPYRAZOL3ONE
(4E)4(13BENZODIOXOL5YLMETHYLIDENE)2(13BENZOTHIAZOL2YL)5((4METHYLPHENYL)SULFANYLMETHYL)PYRAZOL3ONE
CC1=CC=C(C=C1)SCC2=NN(C(=O)C2=CC3=CC4=C(C=C3)OCO4)C5=NC6=CC=CC=C6S5
Cc1ccc(cc1)SCC1=NN(C(=O)C1=Cc1ccc2c(c1)OCO2)c1nc2c(s1)cccc2
InChI=1SC26H19N3O3S2c1166918(10716)33142119(12178112223(1317)32153122)25(30)29(2821)262720423524(20)3426h213H1415H21H3b1912+
MFCD08050010
STK024962
ZINC000101408120
ZINC101408120

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Available files

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