Vitas-M small molecule compound

(2E)-3-[4-methoxy-3-(piperidin-1-ylsulfonyl)phenyl]-1-[2-(prop-2-yn-1-ylsulfanyl)-1H-benzimidazol-1-yl]prop-2-en-1-one

Catalog ID
STK806568
SMILES C#CCSc1nc2c(n1C(=O)/C=C/c1ccc(c(c1)S(=O)(=O)N1CCCCC1)OC)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 C25H25N3O4S2 MW 495.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O4S2/c1-3-17-33-25-26-20-9-5-6-10-21(20)28(25)24(29)14-12-19-11-13-22(32-2)23(18-19)34(30,31)27-15-7-4-8-16-27/h1,5-6,9-14,18H,4,7-8,15-17H2,2H3/b14-12+
InChIKey
PHQBGZPRZOFOMM-WYMLVPIESA-N
Synonyms
476274-45-0
(2E)3(4methoxy3(piperidin1ylsulfonyl)phenyl)1(2(prop2yn1ylsulfanyl)1Hbenzimidazol1yl)prop2en1one
(2E)3(4METHOXY3(PIPERIDYLSULFONYL)PHENYL)1(2PROP2YNYLTHIOBENZIMIDAZOLYL)PROP2EN1ONE
(E)3(4METHOXY3PIPERIDIN1YLSULFONYLPHENYL)1(2PROP2YNYLSULFANYLBENZIMIDAZOL1YL)PROP2EN1ONE
476274450
C#CCSc1nc2c(n1C(=O)C=Cc1ccc(c(c1)S(=O)(=O)N1CCCCC1)OC)cccc2
COC1=C(C=C(C=C1)C=CC(=O)N2C3=CC=CC=C3N=C2SCC#C)S(=O)(=O)N4CCCCC4
InChI=1SC25H25N3O4S2c1317332526209561021(20)28(25)24(29)141219111322(322)23(1819)34(3031)27157481627h15691418H4781517H22H3b1412+
MFCD01538417
ZINC000009354758
ZINC09354758
ZINC9354758

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Available files

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