Vitas-M small molecule compound
(5E)-5-({[2-(4-acetylpiperazin-1-yl)ethyl]amino}methylidene)-1-(4-methoxyphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL043463
SMILES COc1ccc(cc1)N1C(=NC(=O)/C(=C\NCCN2CCN(CC2)C(=O)C)/C1=O)S
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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 C20H25N5O4S MW 431.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N5O4S/c1-14(26)24-11-9-23(10-12-24)8-7-21-13-17-18(27)22-20(30)25(19(17)28)15-3-5-16(29-2)6-4-15/h3-6,13,21H,7-12H2,1-2H3,(H,22,27,30)/b17-13+InChIKey
CNOWXWRNRYOXCW-GHRIWEEISA-NSynonyms
(5E)5(((2(4acetylpiperazin1yl)ethyl)amino)methylidene)1(4methoxyphenyl)2sulfanylpyrimidine46(1H5H)dione
(5E)5((2(4ACETYLPIPERAZIN1YL)ETHYLAMINO)METHYLIDENE)1(4METHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
CC(=O)N1CCN(CC1)CCNC=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)OC
COc1ccc(cc1)N1C(=NC(=O)C(=CNCCN2CCN(CC2)C(=O)C)C1=O)S
InChI=1SC20H25N5O4Sc114(26)2411923(101224)8721131718(27)2220(30)25(19(17)28)153516(292)6415h361321H712H212H3(H222730)b1713+
MFCD04072704
ZINC000001838208
ZINC01838208
ZINC1838208
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