Vitas-M small molecule compound

3-[3-methoxy-4-(pentyloxy)benzyl]-1,3-benzothiazol-2(3H)-one

Catalog ID
STK895140
SMILES CCCCCOc1ccc(cc1OC)Cn1c(=O)sc2c1cccc2

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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 C20H23NO3S MW 357.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23NO3S/c1-3-4-7-12-24-17-11-10-15(13-18(17)23-2)14-21-16-8-5-6-9-19(16)25-20(21)22/h5-6,8-11,13H,3-4,7,12,14H2,1-2H3
InChIKey
DOGONSLKZFAZTP-UHFFFAOYSA-N
Synonyms

3((3METHOXY4PENTOXYPHENYL)METHYL)13BENZOTHIAZOL2ONE
3((3METHOXY4PENTYLOXYPHENYL)METHYL)3HYDROBENZOTHIAZOL2ONE
3(3methoxy4(pentyloxy)benzyl)13benzothiazol2(3H)one
CCCCCOC1=C(C=C(C=C1)CN2C3=CC=CC=C3SC2=O)OC
InChI=1SC20H23NO3Sc1347122417111015(1318(17)232)142116856919(16)2520(21)22h5681113H3471214H212H3
MFCD06643507
ZINC000005014134
ZINC05014134
ZINC5014134

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Available files

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