Vitas-M small molecule compound
13-oxo-4-(phenylsulfanyl)-1,2,7,8,9,10,11,13-octahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepine-3-carbaldehyde
Catalog ID
STK280177
SMILES O=CC1=C(Sc2ccccc2)c2c(CC1)c1c(s2)nc2n(c1=O)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 C22H20N2O2S2 MW 408.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O2S2/c25-13-14-10-11-16-18-21(23-17-9-5-2-6-12-24(17)22(18)26)28-20(16)19(14)27-15-7-3-1-4-8-15/h1,3-4,7-8,13H,2,5-6,9-12H2InChIKey
JYUUMXIKCITNRY-UHFFFAOYSA-NSynonyms
13oxo4(phenylsulfanyl)12789101113octahydro(1)benzothieno(2345)pyrimido(12a)azepine3carbaldehyde
C1CCC2=NC3=C(C4=C(S3)C(=C(CC4)C=O)SC5=CC=CC=C5)C(=O)N2CC1
InChI=1SC22H20N2O2S2c2513141011161821(231795261224(17)22(18)26)2820(16)19(14)27157314815h1347813H256912H2
MFCD00343973
ZINC000000846131
ZINC00846131
ZINC846131
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