Vitas-M small molecule compound
N-cyclohexyl-4-hydroxy-2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]butanamide
Catalog ID
STK842154
SMILES OCCC(C(=O)NC1CCCCC1)Sc1nc2sc3c(c2c(=O)n1c1ccccc1)CCCC3
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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 C26H31N3O3S2 MW 497.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N3O3S2/c30-16-15-21(23(31)27-17-9-3-1-4-10-17)34-26-28-24-22(19-13-7-8-14-20(19)33-24)25(32)29(26)18-11-5-2-6-12-18/h2,5-6,11-12,17,21,30H,1,3-4,7-10,13-16H2,(H,27,31)InChIKey
CBISUTOGMLCAKK-UHFFFAOYSA-NSynonyms
370849-87-9370849879
C1CCC(CC1)NC(=O)C(CCO)SC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=CC=C5
InChI=1SC26H31N3O3S2c30161521(23(31)271793141017)3426282422(1913781420(19)3324)25(32)29(26)18115261218h2561112172130H1347101316H2(H2731)
MFCD02999782
Ncyclohexyl4hydroxy2((4oxo3phenyl345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)butanamide
Ncyclohexyl4hydroxy2((4oxo3phenyl345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)butanamide
Ncyclohexyl4hydroxy2((4oxo3phenyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)butanamide
ZINC000000723944
ZINC000000723945
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