Vitas-M small molecule compound
3-(3-{[(5-chloro-1H-benzimidazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide
Catalog ID
STL287602
SMILES N#Cc1c(NC(=O)CCc2onc(n2)CSc2nc3c([nH]2)ccc(c3)Cl)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 C22H19ClN6O2S2 MW 499.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClN6O2S2/c23-12-5-6-15-16(9-12)26-22(25-15)32-11-18-27-20(31-29-18)8-7-19(30)28-21-14(10-24)13-3-1-2-4-17(13)33-21/h5-6,9H,1-4,7-8,11H2,(H,25,26)(H,28,30)InChIKey
OLJNEIQICRFLRD-UHFFFAOYSA-NSynonyms
3(3(((5chloro1Hbenzimidazol2yl)sulfanyl)methyl)124oxadiazol5yl)N(3cyano4567tetrahydro1benzothiophen2yl)propanamide
3(3((6chloro1Hbenzimidazol2yl)sulfanylmethyl)124oxadiazol5yl)N(3cyano4567tetrahydro1benzothiophen2yl)propanamide
C1CCC2=C(C1)C(=C(S2)NC(=O)CCC3=NC(=NO3)CSC4=NC5=C(N4)C=C(C=C5)Cl)C#N
InChI=1SC22H19ClN6O2S2c2312561516(912)2622(2515)3211182720(312918)8719(30)282114(1024)13312417(13)3321h569H147811H2(H2526)(H2830)
MFCD24847733
N#Cc1c(NC(=O)CCc2onc(n2)CSc2nc3c((nH)2)ccc(c3)Cl)sc2c1CCCC2
ZINC000033271000
ZINC33271000
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