Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-4-({[3-(2-oxopyrrolidin-1-yl)propyl]amino}methylidene)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK136684
SMILES O=C1CCCN1CCCN/C=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)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 C24H23N5O2S MW 445.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23N5O2S/c30-21-12-6-14-28(21)15-7-13-25-16-18-22(17-8-2-1-3-9-17)27-29(23(18)31)24-26-19-10-4-5-11-20(19)32-24/h1-5,8-11,16,25H,6-7,12-15H2/b18-16-InChIKey
PKKQJLBWRUPEKU-VLGSPTGOSA-NSynonyms
(4Z)2(13BENZOTHIAZOL2YL)4(((3(2OXOPYRROLIDIN1YL)PROPYL)AMINO)METHYLIDENE)5PHENYL24DIHYDRO3HPYRAZOL3ONE
(4Z)2(13benzothiazol2yl)4((3(2oxopyrrolidin1yl)propylamino)methylidene)5phenylpyrazol3one
C1CC(=O)N(C1)CCCNC=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5
InChI=1SC24H23N5O2Sc30211261428(21)1571325161822(178213917)2729(23(18)31)24261910451120(19)3224h158111625H671215H2b1816
MFCD02169213
O=C1CCCN1CCCNC=C1C(=NN(C1=O)c1nc2c(s1)cccc2)c1ccccc1
ZINC000008661030
ZINC08661030
ZINC8661030
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