Vitas-M small molecule compound
(4Z)-4-[(cyclopentylamino)methylidene]-2-phenyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK167119
SMILES O=C1/C(=C\NC2CCCC2)/C(=NN1c1ccccc1)CSc1nnnn1c1ccccc1
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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 C23H23N7OS MW 445.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N7OS/c31-22-20(15-24-17-9-7-8-10-17)21(26-29(22)18-11-3-1-4-12-18)16-32-23-25-27-28-30(23)19-13-5-2-6-14-19/h1-6,11-15,17,24H,7-10,16H2/b20-15-InChIKey
RNKGAYRYDLTNAP-HKWRFOASSA-NSynonyms
(4Z)4((CYCLOPENTYLAMINO)METHYLIDENE)2PHENYL5(((1PHENYL1HTETRAZOL5YL)SULFANYL)METHYL)24DIHYDRO3HPYRAZOL3ONE
(4Z)4((CYCLOPENTYLAMINO)METHYLIDENE)2PHENYL5((1PHENYLTETRAZOL5YL)SULFANYLMETHYL)PYRAZOL3ONE
(E)4((cyclopentylamino)methylene)1phenyl3(((1phenyl1Htetrazol5yl)thio)methyl)1Hpyrazol5(4H)one
C1CCC(C1)NC=C2C(=NN(C2=O)C3=CC=CC=C3)CSC4=NN=NN4C5=CC=CC=C5
InChI=1SC23H23N7OSc312220(1524179781017)21(2629(22)18113141218)16322325272830(23)19135261419h1611151724H71016H2b2015
MFCD04221714
O=C1C(=CNC2CCCC2)C(=NN1c1ccccc1)CSc1nnnn1c1ccccc1
ZINC000009210603
ZINC09210603
ZINC9210603
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