Vitas-M small molecule compound
6-chloro-7-hydroxy-6',6'-dimethyl-4-(thiophen-2-yl)-3,4,5',6'-tetrahydro-1'H-spiro[chromene-2,4'-pyrimidine]-2'(3'H)-thione
Catalog ID
STK773968
SMILES S=C1NC(C)(C)CC2(N1)Oc1cc(O)c(cc1C(C2)c1cccs1)Cl
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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 C18H19ClN2O2S2 MW 394.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19ClN2O2S2/c1-17(2)9-18(21-16(24)20-17)8-11(15-4-3-5-25-15)10-6-12(19)13(22)7-14(10)23-18/h3-7,11,22H,8-9H2,1-2H3,(H2,20,21,24)InChIKey
KTLBDBUVOUICSC-UHFFFAOYSA-NSynonyms
6chloro7hydroxy44dimethyl4thiophen2ylspiro(13diazinane6234dihydrochromene)2thione
6chloro7hydroxy66dimethyl4(thiophen2yl)3456tetrahydro1Hspiro(chromene24pyrimidine)2(3H)thione
CC1(CC2(CC(C3=CC(=C(C=C3O2)O)Cl)C4=CC=CS4)NC(=S)N1)C
InChI=1SC18H19ClN2O2S2c117(2)918(2116(24)2017)811(154352515)10612(19)13(22)714(10)2318h371122H89H212H3(H2202124)
MFCD03047924
ZINC000008665949
ZINC000008665952
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