Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[(5-chloro-2-phenoxyphenyl)amino]ethylidene}-5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK093157
SMILES Clc1ccc(cc1)SCC1=NN(C(=O)/C/1=C(\Nc1cc(Cl)ccc1Oc1ccccc1)/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 C31H22Cl2N4O2S2 MW 617.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H22Cl2N4O2S2/c1-19(34-25-17-21(33)13-16-27(25)39-22-7-3-2-4-8-22)29-26(18-40-23-14-11-20(32)12-15-23)36-37(30(29)38)31-35-24-9-5-6-10-28(24)41-31/h2-17,34H,18H2,1H3/b29-19-InChIKey
PBGQRAGSBNSKFW-CEUNXORHSA-NSynonyms
(4Z)2(13BENZOTHIAZOL2YL)4(1((5CHLORO2PHENOXYPHENYL)AMINO)ETHYLIDENE)5(((4CHLOROPHENYL)SULFANYL)METHYL)24DIHYDRO3HPYRAZOL3ONE
(4Z)2(13BENZOTHIAZOL2YL)4(1(5CHLORO2PHENOXYANILINO)ETHYLIDENE)5((4CHLOROPHENYL)SULFANYLMETHYL)PYRAZOL3ONE
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CSC4=CC=C(C=C4)Cl)NC5=C(C=CC(=C5)Cl)OC6=CC=CC=C6
Clc1ccc(cc1)SCC1=NN(C(=O)C1=C(Nc1cc(Cl)ccc1Oc1ccccc1)C)c1nc2c(s1)cccc2
InChI=1SC31H22Cl2N4O2S2c119(34251721(33)131627(25)39227324822)2926(184023141120(32)121523)3637(30(29)38)3135249561028(24)4131h21734H18H21H3b2919
MFCD06240675
STK093157
ZINC000101495380
ZINC101495380
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