Vitas-M small molecule compound

3-(2-chlorophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide

Catalog ID
STK426681
SMILES N#Cc1c(NC(=O)c2c(C)onc2c2ccccc2Cl)sc2c1CCCC2

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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 C20H16ClN3O2S MW 397.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClN3O2S/c1-11-17(18(24-26-11)13-7-2-4-8-15(13)21)19(25)23-20-14(10-22)12-6-3-5-9-16(12)27-20/h2,4,7-8H,3,5-6,9H2,1H3,(H,23,25)
InChIKey
IEYTVLZRFYNCEB-UHFFFAOYSA-N
Synonyms
312535-72-1
3(2chlorophenyl)N(3cyano4567tetrahydro1benzothiophen2yl)5methyl12oxazole4carboxamide
312535721
CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=C(C4=C(S3)CCCC4)C#N
InChI=1SC20H16ClN3O2Sc11117(18(242611)13724815(13)21)19(25)232014(1022)12635916(12)2720h2478H3569H21H3(H2325)
MFCD01197445
ZINC000000996455
ZINC00996455
ZINC996455

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Available files

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