Vitas-M small molecule compound

5-{3-chloro-5-methoxy-4-[2-(2-methylphenoxy)ethoxy]benzylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK065792
SMILES COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(c1OCCOc1ccccc1C)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/c1-12-5-3-4-6-16(12)28-7-8-29-18-15(22)10-13(11-17(18)27-2)9-14-19(25)23-21(30)24-20(14)26/h3-6,9-11H,7-8H2,1-2H3,(H2,23,24,25,26,30)
InChIKey
LIYRCAJHMWBHHS-UHFFFAOYSA-N
Synonyms

5((3CHLORO5METHOXY4(2(2METHYLPHENOXY)ETHOXY)PHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
5(3CHLORO5METHOXY4(2(2METHYLPHENOXY)ETHOXY)BENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CC1=CC=CC=C1OCCOC2=C(C=C(C=C2Cl)C=C3C(=O)NC(=S)NC3=O)OC
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(c1OCCOc1ccccc1C)Cl
InChI=1SC21H19ClN2O5Sc112534616(12)2878291815(22)1013(1117(18)272)91419(25)2321(30)2420(14)26h36911H78H212H3(H22324252630)
MFCD02017775
STK065792
ZINC000002945090
ZINC02945090
ZINC2945090

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Available files

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