Vitas-M small molecule compound

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

Catalog ID
STK009608
SMILES Clc1ccc(cc1)SCC1=NN(C(=O)/C/1=C(/Nc1cccc(c1)[N+](=O)[O-])\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 C25H18ClN5O3S2 MW 536.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18ClN5O3S2/c1-15(27-17-5-4-6-18(13-17)31(33)34)23-21(14-35-19-11-9-16(26)10-12-19)29-30(24(23)32)25-28-20-7-2-3-8-22(20)36-25/h2-13,27H,14H2,1H3/b23-15+
InChIKey
WPDACGUOKNZQBZ-HZHRSRAPSA-N
Synonyms
444768-75-6
(4E)2(13BENZOTHIAZOL2YL)5(((4CHLOROPHENYL)SULFANYL)METHYL)4(1((3NITROPHENYL)AMINO)ETHYLIDENE)24DIHYDRO3HPYRAZOL3ONE
(4E)2(13benzothiazol2yl)5((4chlorophenyl)sulfanylmethyl)4(1(3nitroanilino)ethylidene)pyrazol3one
2(13BENZOTHIAZOL2YL)5(((4CHLOROPHENYL)SULFANYL)METHYL)4(1(3NITROANILINO)ETHYLIDENE)24DIHYDRO3HPYRAZOL3ONE
444768756
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CSC4=CC=C(C=C4)Cl)NC5=CC(=CC=C5)(N+)(=O)(O)
Clc1ccc(cc1)SCC1=NN(C(=O)C1=C(Nc1cccc(c1)(N+)(=O)(O))C)c1nc2c(s1)cccc2
InChI=1SC25H18ClN5O3S2c115(271754618(1317)31(33)34)2321(14351911916(26)101219)2930(24(23)32)252820723822(20)3625h21327H14H21H3b2315+
MFCD02242993
STK009608
ZINC000008398947
ZINC08398947
ZINC8398947

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Available files

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