Vitas-M small molecule compound
(2Z)-2-({1-phenyl-3-[3-(piperidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}methylidene)[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Catalog ID
STK800538
SMILES O=c1/c(=C/c2cn(nc2c2cccc(c2)S(=O)(=O)N2CCCCC2)c2ccccc2)/sc2n1c1ccccc1n2
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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 C30H25N5O3S2 MW 567.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N5O3S2/c36-29-27(39-30-31-25-14-5-6-15-26(25)35(29)30)19-22-20-34(23-11-3-1-4-12-23)32-28(22)21-10-9-13-24(18-21)40(37,38)33-16-7-2-8-17-33/h1,3-6,9-15,18-20H,2,7-8,16-17H2/b27-19-InChIKey
REGKEOAJQRSPRD-DIBXZPPDSA-NSynonyms
(2Z)2((1phenyl3(3(piperidin1ylsulfonyl)phenyl)1Hpyrazol4yl)methylidene)(13)thiazolo(32a)benzimidazol3(2H)one
(2Z)2((1PHENYL3(3PIPERIDIN1YLSULFONYLPHENYL)PYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32A)BENZIMIDAZOL1ONE
C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C=C3C=C4C(=O)N5C6=CC=CC=C6N=C5S4)C7=CC=CC=C7
InChI=1SC30H25N5O3S2c362927(3930312514561526(25)35(29)30)19222034(23113141223)3228(22)211091324(1821)40(3738)33167281733h1369151820H2781617H2b2719
MFCD06315221
O=c1c(=Cc2cn(nc2c2cccc(c2)S(=O)(=O)N2CCCCC2)c2ccccc2)sc2n1c1ccccc1n2
ZINC000097946713
ZINC97946713
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