Vitas-M small molecule compound

2-[4-(1,1-dioxido-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl 4-fluorobenzoate

Catalog ID
STK181090
SMILES Fc1ccc(cc1)C(=O)OCCN1CCN(CC1)C1=NS(=O)(=O)c2c1cccc2

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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 C20H20FN3O4S MW 417.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20FN3O4S/c21-16-7-5-15(6-8-16)20(25)28-14-13-23-9-11-24(12-10-23)19-17-3-1-2-4-18(17)29(26,27)22-19/h1-8H,9-14H2
InChIKey
MLUNMEYAMQVZOY-UHFFFAOYSA-N
Synonyms

2(4(11DIOXIDO12BENZISOTHIAZOL3YL)1PIPERAZINYL)ETHYL4FLUOROBENZOATE
2(4(11DIOXIDO12BENZOTHIAZOL3YL)PIPERAZIN1YL)ETHYL4FLUOROBENZOATE
2(4(11DIOXO12BENZOTHIAZOL3YL)PIPERAZIN1YL)ETHYL4FLUOROBENZOATE
C1CN(CCN1CCOC(=O)C2=CC=C(C=C2)F)C3=NS(=O)(=O)C4=CC=CC=C43
InChI=1SC20H20FN3O4Sc21167515(6816)20(25)2814132391124(121023)1917312418(17)29(2627)2219h18H914H2
MFCD04276540
ZINC000019869054
ZINC19869054

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Available files

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