Vitas-M small molecule compound

3-{[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Catalog ID
STK958036
SMILES O=C(C1C2C=CC(C1C(=O)O)C2)Nc1nc2c(s1)cc(cc2)S(=O)(=O)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 C17H16N2O5S2 MW 392.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O5S2/c1-26(23,24)10-4-5-11-12(7-10)25-17(18-11)19-15(20)13-8-2-3-9(6-8)14(13)16(21)22/h2-5,7-9,13-14H,6H2,1H3,(H,21,22)(H,18,19,20)
InChIKey
VCXQHHJYPXWYIK-UHFFFAOYSA-N
Synonyms
489408-78-8
2((6METHYLSULFONYL13BENZOTHIAZOL2YL)CARBAMOYL)BICYCLO(221)HEPT5ENE3CARBOXYLICACID
3(((6(METHYLSULFONYL)13BENZOTHIAZOL2YL)AMINO)CARBONYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
3((6(methylsulfonyl)13benzothiazol2yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
489408788
CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3C4CC(C3C(=O)O)C=C4
InChI=1SC17H16N2O5S2c126(2324)10451112(710)2517(1811)1915(20)138239(68)14(13)16(21)22h25791314H6H21H3(H2122)(H181920)
MFCD02174088
ZINC000100629644
ZINC000239425734

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Available files

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