Vitas-M small molecule compound
1'-(butan-2-yl)-4-chloro-2'-sulfanyl-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-4',6'(1'H)-dione
Catalog ID
STK603362
SMILES CCC(N1C(=NC(=O)C2(C1=O)Cc1c(Cl)cccc1N1C2CCCCC1)S)C
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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 C21H26ClN3O2S MW 419.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26ClN3O2S/c1-3-13(2)25-19(27)21(18(26)23-20(25)28)12-14-15(22)8-7-9-16(14)24-11-6-4-5-10-17(21)24/h7-9,13,17H,3-6,10-12H2,1-2H3,(H,23,26,28)InChIKey
FAXHGYNNSDBMHI-UHFFFAOYSA-NSynonyms
1008414-48-91(butan2yl)4chloro2sulfanyl6a7891011hexahydro4H5Hspiro(azepino(12a)quinoline65pyrimidine)46(1H)dione
1008414489
1butan2yl4chloro2sulfanylidenespiro(13diazinane566a7891011hexahydro5Hazepino(12a)quinoline)46dione
CCC(C)N1C(=O)C2(CC3=C(C=CC=C3Cl)N4C2CCCCC4)C(=O)NC1=S
InChI=1SC21H26ClN3O2Sc1313(2)2519(27)21(18(26)2320(25)28)121415(22)87916(14)24116451017(21)24h791317H361012H212H3(H232628)
MFCD08730978
ZINC000008997608
ZINC000229919834
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