Vitas-M small molecule compound

(2Z)-6,7-dimethyl-2-[4-(prop-2-yn-1-yloxy)benzylidene][1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one

Catalog ID
STK765178
SMILES C#CCOc1ccc(cc1)/C=c/1\sc2n(c1=O)c1c(n2)cc(c(c1)C)C

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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 C21H16N2O2S MW 360.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N2O2S/c1-4-9-25-16-7-5-15(6-8-16)12-19-20(24)23-18-11-14(3)13(2)10-17(18)22-21(23)26-19/h1,5-8,10-12H,9H2,2-3H3/b19-12-
InChIKey
PPWWMSXVXMPYLK-UNOMPAQXSA-N
Synonyms

(2Z)67DIMETHYL2((4PROP2YNOXYPHENYL)METHYLIDENE)(13)THIAZOLO(32A)BENZIMIDAZOL1ONE
(2Z)67DIMETHYL2(4(2PROPYNYLOXY)BENZYLIDENE)(13)THIAZOLO(32A)BENZIMIDAZOL3(2H)ONE
(2Z)67dimethyl2(4(prop2yn1yloxy)benzylidene)(13)thiazolo(32a)benzimidazol3(2H)one
67DIMETHYL2((4PROP2YNYLOXYPHENYL)METHYLENE)13THIAZOLIDINO(32A)BENZIMIDAZOL3ONE
67DIMETHYL2(4PROP2YNYLOXYBENZYLIDENE)BENZO(45)IMIDAZO(21B)THIAZOL3ONE
C#CCOc1ccc(cc1)C=c1sc2n(c1=O)c1c(n2)cc(c(c1)C)C
CC1=CC2=C(C=C1C)N3C(=O)C(=CC4=CC=C(C=C4)OCC#C)SC3=N2
InChI=1SC21H16N2O2Sc14925167515(6816)121920(24)23181114(3)13(2)1017(18)2221(23)2619h1581012H9H223H3b1912
MFCD03079009
ZINC000002124454
ZINC02124454
ZINC2124454

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.