Vitas-M small molecule compound
2-{3-[(1Z)-2-cyano-3-oxo-3-(4-phenylpiperazin-1-yl)prop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STK379925
SMILES N#C/C(=C/c1cc(n(c1C)c1sc2c(c1C#N)CCCC2)C)/C(=O)N1CCN(CC1)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 C29H29N5OS MW 495.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N5OS/c1-20-16-22(21(2)34(20)29-26(19-31)25-10-6-7-11-27(25)36-29)17-23(18-30)28(35)33-14-12-32(13-15-33)24-8-4-3-5-9-24/h3-5,8-9,16-17H,6-7,10-15H2,1-2H3/b23-17-InChIKey
PETIAHSEZKQEMI-QJOMJCCJSA-NSynonyms
2(3((1Z)2cyano3oxo3(4phenylpiperazin1yl)prop1en1yl)25dimethyl1Hpyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
2(3((Z)2cyano3oxo3(4phenylpiperazin1yl)prop1enyl)25dimethylpyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C#N)C)C=C(C#N)C(=O)N4CCN(CC4)C5=CC=CC=C5
InChI=1SC29H29N5OSc1201622(21(2)34(20)2926(1931)2510671127(25)3629)1723(1830)28(35)33141232(131533)248435924h35891617H671015H212H3b2317
MFCD02105166
N#CC(=Cc1cc(n(c1C)c1sc2c(c1C#N)CCCC2)C)C(=O)N1CCN(CC1)c1ccccc1
ZINC000004081806
ZINC04081806
ZINC4081806
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