Vitas-M small molecule compound
2-amino-4-{4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-5-methylthiophen-2-yl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STK783147
SMILES N#CC1=C(N)OC2=C(C1c1sc(c(c1)CSc1nc3c(s1)cccc3)C)C(=O)CCC2
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C23H19N3O2S3 MW 465.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O2S3/c1-12-13(11-29-23-26-15-5-2-3-8-18(15)31-23)9-19(30-12)20-14(10-24)22(25)28-17-7-4-6-16(27)21(17)20/h2-3,5,8-9,20H,4,6-7,11,25H2,1H3InChIKey
GRCALWWDQVEDAU-UHFFFAOYSA-NSynonyms
2amino4(4((13benzothiazol2ylsulfanyl)methyl)5methylthiophen2yl)5oxo5678tetrahydro4Hchromene3carbonitrile
2amino4(4(13benzothiazol2ylsulfanylmethyl)5methylthiophen2yl)5oxo4678tetrahydrochromene3carbonitrile
CC1=C(C=C(S1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)CSC4=NC5=CC=CC=C5S4
InChI=1SC23H19N3O2S3c11213(1129232615523818(15)3123)919(3012)2014(1024)22(25)281774616(27)21(17)20h2358920H4671125H21H3
MFCD06617595
ZINC000012372411
ZINC000012372412
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