Vitas-M small molecule compound
3-({[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl}amino)-4-methylbenzoic acid
Catalog ID
STK243159
SMILES O=C(Nc1cc(ccc1C)C(=O)O)CSc1nc2c(s1)ccc(c2)Cl
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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 C17H13ClN2O3S2 MW 392.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13ClN2O3S2/c1-9-2-3-10(16(22)23)6-12(9)19-15(21)8-24-17-20-13-7-11(18)4-5-14(13)25-17/h2-7H,8H2,1H3,(H,19,21)(H,22,23)InChIKey
NWCBHHXYVNZBOJ-UHFFFAOYSA-NSynonyms
3((((5CHLORO13BENZOTHIAZOL2YL)SULFANYL)ACETYL)AMINO)4METHYLBENZOICACID
3((2((5CHLORO13BENZOTHIAZOL2YL)SULFANYL)ACETYL)AMINO)4METHYLBENZOICACID
3(2(5CHLOROBENZOTHIAZOL2YLSULFANYL)ACETYLAMINO)4METHYLBENZOICACID
CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl
InChI=1SC17H13ClN2O3S2c192310(16(22)23)612(9)1915(21)824172013711(18)4514(13)2517h27H8H21H3(H1921)(H2223)
MFCD07395894
ZINC000005059909
ZINC5059909
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