Vitas-M small molecule compound

(5Z)-1-(4-bromo-2-methylphenyl)-5-[4-(pyrrolidin-1-yl)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK192743
SMILES Brc1ccc(c(c1)C)N1C(=S)NC(=O)/C(=C/c2ccc(cc2)N2CCCC2)/C1=O

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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 C22H20BrN3O2S MW 470.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrN3O2S/c1-14-12-16(23)6-9-19(14)26-21(28)18(20(27)24-22(26)29)13-15-4-7-17(8-5-15)25-10-2-3-11-25/h4-9,12-13H,2-3,10-11H2,1H3,(H,24,27,29)/b18-13-
InChIKey
BAYPANHOPVNOFK-AQTBWJFISA-N
Synonyms

(5Z)1(4BROMO2METHYLPHENYL)5((4PYRROLIDIN1YLPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)1(4BROMO2METHYLPHENYL)5(4(PYRROLIDIN1YL)BENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
1(4BROMO2METHYLPHENYL)5(4(1PYRROLIDINYL)BENZYLIDENE)2THIOXODIHYDRO46(1H5H)PYRIMIDINEDIONE
Brc1ccc(c(c1)C)N1C(=S)NC(=O)C(=Cc2ccc(cc2)N2CCCC2)C1=O
CC1=C(C=CC(=C1)Br)N2C(=O)C(=CC3=CC=C(C=C3)N4CCCC4)C(=O)NC2=S
InChI=1SC22H20BrN3O2Sc1141216(23)6919(14)2621(28)18(20(27)2422(26)29)13154717(8515)2510231125h491213H231011H21H3(H242729)b1813
MFCD02919790
ZINC000008454197
ZINC08454197
ZINC8454197

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Available files

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