Vitas-M small molecule compound

(5E)-1-(4-chlorophenyl)-3-ethyl-5-(4-methoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK198008
SMILES COc1ccc(cc1)/C=C/1\C(=O)N(CC)C(=S)N(C1=O)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 C20H17ClN2O3S MW 400.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN2O3S/c1-3-22-18(24)17(12-13-4-10-16(26-2)11-5-13)19(25)23(20(22)27)15-8-6-14(21)7-9-15/h4-12H,3H2,1-2H3/b17-12+
InChIKey
ISLWQMHMLFKAPZ-SFQUDFHCSA-N
Synonyms

(5E)1(4CHLOROPHENYL)3ETHYL5((4METHOXYPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(4CHLOROPHENYL)3ETHYL5(4METHOXYBENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCN1C(=O)C(=CC2=CC=C(C=C2)OC)C(=O)N(C1=S)C3=CC=C(C=C3)Cl
COc1ccc(cc1)C=C1C(=O)N(CC)C(=S)N(C1=O)c1ccc(cc1)Cl
InChI=1SC20H17ClN2O3Sc132218(24)17(121341016(262)11513)19(25)23(20(22)27)158614(21)7915h412H3H212H3b1712+
MFCD04307920
ZINC000004739143
ZINC04739143
ZINC4739143

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Available files

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