Vitas-M small molecule compound

(8E)-8-(3,4-dimethoxybenzylidene)-4-(3,4-dimethoxyphenyl)-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione

Catalog ID
STL308258
SMILES COc1ccc(cc1OC)/C=C/1\CCCC2=C1NC(=S)NC2c1ccc(c(c1)OC)OC

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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 C25H28N2O4S MW 452.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O4S/c1-28-19-10-8-15(13-21(19)30-3)12-16-6-5-7-18-23(16)26-25(32)27-24(18)17-9-11-20(29-2)22(14-17)31-4/h8-14,24H,5-7H2,1-4H3,(H2,26,27,32)/b16-12+
InChIKey
UZMHXICLVJPVLZ-FOWTUZBSSA-N
Synonyms
1606158-60-4
(8E)4(34dimethoxyphenyl)8((34dimethoxyphenyl)methylidene)134567hexahydroquinazoline2thione
(8E)8(34dimethoxybenzylidene)4(34dimethoxyphenyl)345678hexahydroquinazoline2(1H)thione
(E)8(34dimethoxybenzylidene)4(34dimethoxyphenyl)345678hexahydroquinazoline2(1H)thione
1606158604
COC1=C(C=C(C=C1)C=C2CCCC3=C2NC(=S)NC3C4=CC(=C(C=C4)OC)OC)OC
COc1ccc(cc1OC)C=C1CCCC2=C1NC(=S)NC2c1ccc(c(c1)OC)OC
InChI=1SC25H28N2O4Sc1281910815(1321(19)303)12166571823(16)2625(32)2724(18)1791120(292)22(1417)314h81424H57H214H3(H2262732)b1612+
MFCD03682281
ZINC000000625323
ZINC000000625325

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Available files

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