Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[4-(diethylamino)benzylidene]-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK084067
SMILES CCN(c1ccc(cc1)/C=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl)CC
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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 C28H25ClN4OS2 MW 533.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25ClN4OS2/c1-3-32(4-2)21-13-9-19(10-14-21)17-23-25(18-35-22-15-11-20(29)12-16-22)31-33(27(23)34)28-30-24-7-5-6-8-26(24)36-28/h5-17H,3-4,18H2,1-2H3/b23-17-InChIKey
CBVRGHGANBQGEE-QJOMJCCJSA-NSynonyms
(4Z)2(13BENZOTHIAZOL2YL)5(((4CHLOROPHENYL)SULFANYL)METHYL)4(4(DIETHYLAMINO)BENZYLIDENE)24DIHYDRO3HPYRAZOL3ONE
(4Z)2(13benzothiazol2yl)5((4chlorophenyl)sulfanylmethyl)4((4(diethylamino)phenyl)methylidene)pyrazol3one
CCN(c1ccc(cc1)C=C1C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl)CC
CCN(CC)C1=CC=C(C=C1)C=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)CSC5=CC=C(C=C5)Cl
InChI=1SC28H25ClN4OS2c1332(42)2113919(101421)172325(183522151120(29)121622)3133(27(23)34)283024756826(24)3628h517H3418H212H3b2317
MFCD03032884
STK084067
ZINC000097959107
ZINC97959107
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