Vitas-M small molecule compound

(4E)-4-{[(1,3-benzodioxol-5-ylmethyl)amino]methylidene}-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STL447118
SMILES Clc1ccc(cc1)SCC1=NN(C(=O)/C/1=C/NCc1ccc2c(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 C26H19ClN4O3S2 MW 535.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19ClN4O3S2/c27-17-6-8-18(9-7-17)35-14-21-19(13-28-12-16-5-10-22-23(11-16)34-15-33-22)25(32)31(30-21)26-29-20-3-1-2-4-24(20)36-26/h1-11,13,28H,12,14-15H2/b19-13+
InChIKey
BCCAZPLEJITKJU-CPNJWEJPSA-N
Synonyms

(4E)4(((13benzodioxol5ylmethyl)amino)methylidene)2(13benzothiazol2yl)5(((4chlorophenyl)sulfanyl)methyl)24dihydro3Hpyrazol3one
(4E)4((13benzodioxol5ylmethylamino)methylidene)2(13benzothiazol2yl)5((4chlorophenyl)sulfanylmethyl)pyrazol3one
C1OC2=C(O1)C=C(C=C2)CNC=C3C(=NN(C3=O)C4=NC5=CC=CC=C5S4)CSC6=CC=C(C=C6)Cl
Clc1ccc(cc1)SCC1=NN(C(=O)C1=CNCc1ccc2c(c1)OCO2)c1nc2c(s1)cccc2
InChI=1SC26H19ClN4O3S2c27176818(9717)35142119(132812165102223(1116)34153322)25(32)31(3021)262920312424(20)3626h1111328H121415H2b1913+
MFCD04421575
ZINC000100848986
ZINC100848986

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Available files

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