Vitas-M small molecule compound

(5Z)-1-(3-chloro-2-methylphenyl)-5-[4-(diethylamino)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK189476
SMILES CCN(c1ccc(cc1)/C=C\1/C(=O)NC(=S)N(C1=O)c1cccc(c1C)Cl)CC

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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 C22H22ClN3O2S MW 427.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN3O2S/c1-4-25(5-2)16-11-9-15(10-12-16)13-17-20(27)24-22(29)26(21(17)28)19-8-6-7-18(23)14(19)3/h6-13H,4-5H2,1-3H3,(H,24,27,29)/b17-13-
InChIKey
IRFPBIFZSUJZSW-LGMDPLHJSA-N
Synonyms

(5Z)1(3CHLORO2METHYLPHENYL)5((4(DIETHYLAMINO)PHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)1(3CHLORO2METHYLPHENYL)5(4(DIETHYLAMINO)BENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCN(c1ccc(cc1)C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1C)Cl)CC
CCN(CC)C1=CC=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)C3=C(C(=CC=C3)Cl)C
InChI=1SC22H22ClN3O2Sc1425(52)1611915(101216)131720(27)2422(29)26(21(17)28)1986718(23)14(19)3h613H45H213H3(H242729)b1713
MFCD03993894
ZINC000001141677
ZINC01141677
ZINC1141677

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Available files

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