Vitas-M small molecule compound
(2Z)-2-(1,3-benzothiazol-2-yl)-3-(3-{3-[(2,6-dimethylmorpholin-4-yl)sulfonyl]phenyl}-1-phenyl-1H-pyrazol-4-yl)prop-2-enenitrile
Catalog ID
STK705782
SMILES N#C/C(=C/c1cn(nc1c1cccc(c1)S(=O)(=O)N1CC(C)OC(C1)C)c1ccccc1)/c1nc2c(s1)cccc2
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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 C31H27N5O3S2 MW 581.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27N5O3S2/c1-21-18-35(19-22(2)39-21)41(37,38)27-12-8-9-23(16-27)30-25(20-36(34-30)26-10-4-3-5-11-26)15-24(17-32)31-33-28-13-6-7-14-29(28)40-31/h3-16,20-22H,18-19H2,1-2H3/b24-15-InChIKey
GRCHLKQVNWMTCX-IWIPYMOSSA-NSynonyms
(2Z)2(13benzothiazol2yl)3(3(3((26dimethylmorpholin4yl)sulfonyl)phenyl)1phenyl1Hpyrazol4yl)prop2enenitrile
(Z)2(13benzothiazol2yl)3(3(3(26dimethylmorpholin4yl)sulfonylphenyl)1phenylpyrazol4yl)prop2enenitrile
CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C=C3C=C(C#N)C4=NC5=CC=CC=C5S4)C6=CC=CC=C6
InChI=1SC31H27N5O3S2c1211835(1922(2)3921)41(3738)27128923(1627)3025(2036(3430)26104351126)1524(1732)31332813671429(28)4031h3162022H1819H212H3b2415
MFCD06315588
N#CC(=Cc1cn(nc1c1cccc(c1)S(=O)(=O)N1CC(C)OC(C1)C)c1ccccc1)c1nc2c(s1)cccc2
ZINC000100900617
ZINC000100900622
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