Vitas-M small molecule compound
2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-(1-{[2-(1H-imidazol-4-yl)ethyl]amino}propyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK207391
SMILES CCC(C1C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl)NCCc1c[nH]cn1
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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 C25H25ClN6OS2 MW 525.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25ClN6OS2/c1-2-19(28-12-11-17-13-27-15-29-17)23-21(14-34-18-9-7-16(26)8-10-18)31-32(24(23)33)25-30-20-5-3-4-6-22(20)35-25/h3-10,13,15,19,23,28H,2,11-12,14H2,1H3,(H,27,29)InChIKey
FVYDEFFRIPCAPW-UHFFFAOYSA-NSynonyms
1BENZOTHIAZOL2YL3((4CHLOROPHENYLTHIO)METHYL)4(((2IMIDAZOL4YLETHYL)AMINO)PROPYL)2PYRAZOLIN5ONE
2(13benzothiazol2yl)5(((4chlorophenyl)sulfanyl)methyl)4(1((2(1Himidazol4yl)ethyl)amino)propyl)24dihydro3Hpyrazol3one
2(13benzothiazol2yl)5((4chlorophenyl)sulfanylmethyl)4(1(2(1Himidazol5yl)ethylamino)propyl)4Hpyrazol3one
CCC(C1C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl)NCCc1c(nH)cn1
CCC(C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CSC4=CC=C(C=C4)Cl)NCCC5=CN=CN5
InChI=1SC25H25ClN6OS2c1219(281211171327152917)2321(1434189716(26)81018)3132(24(23)33)253020534622(20)3525h3101315192328H2111214H21H3(H2729)
MFCD06754547
ZINC000020573353
ZINC000095483240
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