Vitas-M small molecule compound
(4E)-4-({[(3-iodophenyl)carbonyl]oxy}imino)-2,3,4,7,8,9,10,11-octahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepin-13(1H)-one
Catalog ID
STK280176
SMILES Ic1cccc(c1)C(=O)O/N=C/1\CCCc2c1sc1c2c(=O)n2c(n1)CCCCC2
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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 C22H20IN3O3S MW 533.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20IN3O3S/c23-14-7-4-6-13(12-14)22(28)29-25-16-9-5-8-15-18-20(30-19(15)16)24-17-10-2-1-3-11-26(17)21(18)27/h4,6-7,12H,1-3,5,8-11H2/b25-16+InChIKey
SWMYEKWJRHNXTG-PCLIKHOPSA-NSynonyms
(4E)4((((3iodophenyl)carbonyl)oxy)imino)2347891011octahydro(1)benzothieno(2345)pyrimido(12a)azepin13(1H)one
C1CCC2=NC3=C(C4=C(S3)C(=NOC(=O)C5=CC(=CC=C5)I)CCC4)C(=O)N2CC1
Ic1cccc(c1)C(=O)ON=C1CCCc2c1sc1c2c(=O)n2c(n1)CCCCC2
InChI=1SC22H20IN3O3Sc231474613(1214)22(28)292516958151820(3019(15)16)2417102131126(17)21(18)27h46712H135811H2b2516+
MFCD01816409
ZINC000008440182
ZINC103872748
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