Vitas-M small molecule compound

4-chloro-7-methyl-5'-phenyl-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-2(1H)-one

Catalog ID
STK112150
SMILES O=C1Nc2c(C31NN=C(S3)c1ccccc1)c(Cl)ccc2C

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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 C16H12ClN3OS MW 329.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12ClN3OS/c1-9-7-8-11(17)12-13(9)18-15(21)16(12)20-19-14(22-16)10-5-3-2-4-6-10/h2-8,20H,1H3,(H,18,21)
InChIKey
CCTVDCCJJCULAV-UHFFFAOYSA-N
Synonyms

4CHLORO7METHYL5PHENYL3HSPIRO(INDOLE32(134)THIADIAZOL)2(1H)ONE
4CHLORO7METHYL5PHENYLSPIRO(1HINDOLE323H134THIADIAZOLE)2ONE
CC1=C2C(=C(C=C1)Cl)C3(C(=O)N2)NN=C(S3)C4=CC=CC=C4
InChI=1SC16H12ClN3OSc197811(17)1213(9)1815(21)16(12)201914(2216)105324610h2820H1H3(H1821)
MFCD04088932
ZINC000000342229
ZINC000000342231

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.