Vitas-M small molecule compound
5-{[(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino}benzene-1,3-dicarboxylic acid
Catalog ID
STK119624
SMILES O=C(Nc1cc(cc(c1)C(=O)O)C(=O)O)CSc1nc2c(s1)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 C17H12N2O5S2 MW 388.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12N2O5S2/c20-14(8-25-17-19-12-3-1-2-4-13(12)26-17)18-11-6-9(15(21)22)5-10(7-11)16(23)24/h1-7H,8H2,(H,18,20)(H,21,22)(H,23,24)InChIKey
OTCJEWTXQPQUGI-UHFFFAOYSA-NSynonyms
313397-77-2313397772
5(((13BENZOTHIAZOL2YLSULFANYL)ACETYL)AMINO)BENZENE13DICARBOXYLICACID
5(((13BENZOTHIAZOL2YLTHIO)ACETYL)AMINO)ISOPHTHALICACID
5((2(13BENZOTHIAZOL2YLSULFANYL)ACETYL)AMINO)BENZENE13DICARBOXYLICACID
5(2BENZOTHIAZOL2YLTHIOACETYLAMINO)BENZENE13DICARBOXYLICACID
C1=CC=C2C(=C1)N=C(S2)SCC(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O
InChI=1SC17H12N2O5S2c2014(825171912312413(12)2617)181169(15(21)22)510(711)16(23)24h17H8H2(H1820)(H2122)(H2324)
MFCD01443565
ZINC000002462314
ZINC2462314
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