Vitas-M small molecule compound
(5E)-1-(4-chlorophenyl)-3-ethyl-2-thioxo-5-(2,3,4-trimethoxybenzylidene)dihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK199090
SMILES CCN1C(=O)/C(=C\c2ccc(c(c2OC)OC)OC)/C(=O)N(C1=S)c1ccc(cc1)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 C22H21ClN2O5S MW 460.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN2O5S/c1-5-24-20(26)16(12-13-6-11-17(28-2)19(30-4)18(13)29-3)21(27)25(22(24)31)15-9-7-14(23)8-10-15/h6-12H,5H2,1-4H3/b16-12+InChIKey
HCRSSDPSGJUEBA-FOWTUZBSSA-NSynonyms
(5E)1(4chlorophenyl)3ethyl2sulfanylidene5((234trimethoxyphenyl)methylidene)13diazinane46dione
(5E)1(4CHLOROPHENYL)3ETHYL2THIOXO5(234TRIMETHOXYBENZYLIDENE)DIHYDROPYRIMIDINE46(1H5H)DIONE
CCN1C(=O)C(=CC2=C(C(=C(C=C2)OC)OC)OC)C(=O)N(C1=S)C3=CC=C(C=C3)Cl
CCN1C(=O)C(=Cc2ccc(c(c2OC)OC)OC)C(=O)N(C1=S)c1ccc(cc1)Cl
InChI=1SC22H21ClN2O5Sc152420(26)16(121361117(282)19(304)18(13)293)21(27)25(22(24)31)159714(23)81015h612H5H214H3b1612+
MFCD04319323
ZINC000009260292
ZINC09260292
ZINC9260292
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