Vitas-M small molecule compound

4-({[6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}methyl)-N-(2-fluorophenyl)benzamide

Catalog ID
STK137897
SMILES O=C(c1ccc(cc1)CSc1sc2c(n1)ccc(c2)N1C(=O)c2c(C1=O)cccc2)Nc1ccccc1F

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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 C29H18FN3O3S2 MW 539.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H18FN3O3S2/c30-22-7-3-4-8-23(22)31-26(34)18-11-9-17(10-12-18)16-37-29-32-24-14-13-19(15-25(24)38-29)33-27(35)20-5-1-2-6-21(20)28(33)36/h1-15H,16H2,(H,31,34)
InChIKey
IWCQNRYUBXYPQO-UHFFFAOYSA-N
Synonyms

4(((6(13DIOXO13DIHYDRO2HISOINDOL2YL)13BENZOTHIAZOL2YL)SULFANYL)METHYL)N(2FLUOROPHENYL)BENZAMIDE
4((6(13DIOXOISOINDOL2YL)13BENZOTHIAZOL2YL)SULFANYLMETHYL)N(2FLUOROPHENYL)BENZAMIDE
C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC4=C(C=C3)N=C(S4)SCC5=CC=C(C=C5)C(=O)NC6=CC=CC=C6F
InChI=1SC29H18FN3O3S2c3022734823(22)3126(34)1811917(101218)1637293224141319(1525(24)3829)3327(35)20512621(20)28(33)36h115H16H2(H3134)
MFCD04153234
ZINC000008438271
ZINC08438271
ZINC8438271

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Available files

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