Vitas-M small molecule compound
(8E)-8-(3,4,5-trimethoxybenzylidene)-4-(3,4,5-trimethoxyphenyl)-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione
Catalog ID
STL308244
SMILES COc1c(OC)cc(cc1OC)/C=C/1\CCCC2=C1NC(=S)NC2c1cc(OC)c(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 C27H32N2O6S MW 512.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N2O6S/c1-30-19-11-15(12-20(31-2)25(19)34-5)10-16-8-7-9-18-23(16)28-27(36)29-24(18)17-13-21(32-3)26(35-6)22(14-17)33-4/h10-14,24H,7-9H2,1-6H3,(H2,28,29,36)/b16-10+InChIKey
RJPJWVNKFWQZRF-MHWRWJLKSA-NSynonyms
685130-50-1(8E)4(345trimethoxyphenyl)8((345trimethoxyphenyl)methylidene)134567hexahydroquinazoline2thione
(8E)8(345trimethoxybenzylidene)4(345trimethoxyphenyl)345678hexahydroquinazoline2(1H)thione
(E)8(345trimethoxybenzylidene)4(345trimethoxyphenyl)345678hexahydroquinazoline2(1H)thione
685130501
COC1=CC(=CC(=C1OC)OC)C=C2CCCC3=C2NC(=S)NC3C4=CC(=C(C(=C4)OC)OC)OC
COc1c(OC)cc(cc1OC)C=C1CCCC2=C1NC(=S)NC2c1cc(OC)c(c(c1)OC)OC
InChI=1SC27H32N2O6Sc130191115(1220(312)25(19)345)10168791823(16)2827(36)2924(18)171321(323)26(356)22(1417)334h101424H79H216H3(H2282936)b1610+
MFCD03681988
ZINC000002235508
ZINC000002235511
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