Vitas-M small molecule compound
3-(phenylsulfanyl)-2,3,8,9,10,11-hexahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepine-4,13(1H,7H)-dione
Catalog ID
STK280157
SMILES O=C1C(CCc2c1sc1c2c(=O)n2c(n1)CCCCC2)Sc1ccccc1
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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 C21H20N2O2S2 MW 396.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O2S2/c24-18-15(26-13-7-3-1-4-8-13)11-10-14-17-20(27-19(14)18)22-16-9-5-2-6-12-23(16)21(17)25/h1,3-4,7-8,15H,2,5-6,9-12H2InChIKey
BARFVUVDQJJCGT-UHFFFAOYSA-NSynonyms
136918-53-1136918531
3(phenylsulfanyl)23891011hexahydro(1)benzothieno(2345)pyrimido(12a)azepine413(1H7H)dione
C1CCC2=NC3=C(C4=C(S3)C(=O)C(CC4)SC5=CC=CC=C5)C(=O)N2CC1
InChI=1SC21H20N2O2S2c241815(26137314813)1110141720(2719(14)18)221695261223(16)21(17)25h1347815H256912H2
MFCD00544552
ZINC000000754187
ZINC000000754188
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