Vitas-M small molecule compound
2-{3-[(E)-(6-hydroxy-4-oxo-2-sulfanylpyrimidin-5(4H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK606989
SMILES SC1=NC(=O)/C(=C/c2cc(n(c2C)c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)C)/C(=N1)O
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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 C26H24N4O3S2 MW 504.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N4O3S2/c1-14-12-16(13-19-22(31)28-26(34)29-23(19)32)15(2)30(14)25-21(18-10-6-7-11-20(18)35-25)24(33)27-17-8-4-3-5-9-17/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H,27,33)(H2,28,29,31,32,34)InChIKey
GOFKIAKJRNOLJL-UHFFFAOYSA-NSynonyms
2(3((46dioxo2sulfanylidene13diazinan5ylidene)methyl)25dimethylpyrrol1yl)Nphenyl4567tetrahydro1benzothiophene3carboxamide
2(3((E)(6hydroxy4oxo2sulfanylpyrimidin5(4H)ylidene)methyl)25dimethyl1Hpyrrol1yl)Nphenyl4567tetrahydro1benzothiophene3carboxamide
CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C(=O)NC4=CC=CC=C4)C)C=C5C(=O)NC(=S)NC5=O
InChI=1SC26H24N4O3S2c1141216(131922(31)2826(34)2923(19)32)15(2)30(14)2521(1810671120(18)3525)24(33)27178435917h35891213H671011H212H3(H2733)(H22829313234)
MFCD08732986
SC1=NC(=O)C(=Cc2cc(n(c2C)c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)C)C(=N1)O
ZINC000008738808
ZINC8738808
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