Vitas-M small molecule compound
(5Z)-2-(4-benzylpiperazin-1-yl)-5-{[3-(3-chloro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-1,3-thiazol-4(5H)-one
Catalog ID
STK816641
SMILES CCCOc1ccc(cc1Cl)c1nn(cc1/C=C/1\SC(=NC1=O)N1CCN(CC1)Cc1ccccc1)c1ccccc1
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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 C33H32ClN5O2S MW 598.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32ClN5O2S/c1-2-19-41-29-14-13-25(20-28(29)34)31-26(23-39(36-31)27-11-7-4-8-12-27)21-30-32(40)35-33(42-30)38-17-15-37(16-18-38)22-24-9-5-3-6-10-24/h3-14,20-21,23H,2,15-19,22H2,1H3/b30-21-InChIKey
QXDWMRRIRLHDST-OFWBYEQRSA-NSynonyms
(5Z)2(4benzylpiperazin1yl)5((3(3chloro4propoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)13thiazol4(5H)one
(5Z)2(4BENZYLPIPERAZIN1YL)5((3(3CHLORO4PROPOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)13THIAZOL4ONE
CCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCN(CC4)CC5=CC=CC=C5)C6=CC=CC=C6)Cl
CCCOc1ccc(cc1Cl)c1nn(cc1C=C1SC(=NC1=O)N1CCN(CC1)Cc1ccccc1)c1ccccc1
InChI=1SC33H32ClN5O2Sc12194129141325(2028(29)34)3126(2339(3631)27117481227)213032(40)3533(4230)38171537(161838)222495361024h314202123H2151922H21H3b3021
MFCD04486004
ZINC000097946661
ZINC97946661
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