Vitas-M small molecule compound
2-amino-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methylthiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STL175742
SMILES N#CC1=C(N)OC2=C(C1c1cc(c(s1)C)CSc1ccc(cc1)Cl)C(=O)CCC2
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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 C22H19ClN2O2S2 MW 442.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClN2O2S2/c1-12-13(11-28-15-7-5-14(23)6-8-15)9-19(29-12)20-16(10-24)22(25)27-18-4-2-3-17(26)21(18)20/h5-9,20H,2-4,11,25H2,1H3InChIKey
IHQIIGJMUTURTE-UHFFFAOYSA-NSynonyms
438223-88-22amino4(4(((4chlorophenyl)sulfanyl)methyl)5methylthiophen2yl)5oxo5678tetrahydro4Hchromene3carbonitrile
2amino4(4((4chlorophenyl)sulfanylmethyl)5methylthiophen2yl)5oxo4678tetrahydrochromene3carbonitrile
438223882
CC1=C(C=C(S1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)CSC4=CC=C(C=C4)Cl
InChI=1SC22H19ClN2O2S2c11213(1128157514(23)6815)919(2912)2016(1024)22(25)271842317(26)21(18)20h5920H241125H21H3
MFCD03074761
ZINC000002749211
ZINC000002749212
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