Vitas-M small molecule compound
(5E)-1-(3-chloro-2-methylphenyl)-2-thioxo-5-(3,4,5-trimethoxybenzylidene)dihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK189470
SMILES COc1c(OC)cc(cc1OC)/C=C/1\C(=O)NC(=S)N(C1=O)c1cccc(c1C)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 C21H19ClN2O5S MW 446.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN2O5S/c1-11-14(22)6-5-7-15(11)24-20(26)13(19(25)23-21(24)30)8-12-9-16(27-2)18(29-4)17(10-12)28-3/h5-10H,1-4H3,(H,23,25,30)/b13-8+InChIKey
KEVMDGHFUSXAIN-MDWZMJQESA-NSynonyms
(5E)1(3CHLORO2METHYLPHENYL)2SULFANYLIDENE5((345TRIMETHOXYPHENYL)METHYLIDENE)13DIAZINANE46DIONE
(5E)1(3CHLORO2METHYLPHENYL)2THIOXO5(345TRIMETHOXYBENZYLIDENE)DIHYDROPYRIMIDINE46(1H5H)DIONE
CC1=C(C=CC=C1Cl)N2C(=O)C(=CC3=CC(=C(C(=C3)OC)OC)OC)C(=O)NC2=S
COc1c(OC)cc(cc1OC)C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1C)Cl
InChI=1SC21H19ClN2O5Sc11114(22)65715(11)2420(26)13(19(25)2321(24)30)812916(272)18(294)17(1012)283h510H14H3(H232530)b138+
MFCD03993794
ZINC000001125908
ZINC01125908
ZINC1125908
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