Vitas-M small molecule compound
(5E)-1-(4-methoxyphenyl)-5-{[(4-methylpiperazin-1-yl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK560301
SMILES COc1ccc(cc1)N1C(=NC(=O)/C(=C\NN2CCN(CC2)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 C17H21N5O3S MW 375.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N5O3S/c1-20-7-9-21(10-8-20)18-11-14-15(23)19-17(26)22(16(14)24)12-3-5-13(25-2)6-4-12/h3-6,11,18H,7-10H2,1-2H3,(H,19,23,26)/b14-11+InChIKey
WXTFBORHOOPIKP-SDNWHVSQSA-NSynonyms
(5E)1(4METHOXYPHENYL)5(((4METHYLPIPERAZIN1YL)AMINO)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(4methoxyphenyl)5(((4methylpiperazin1yl)amino)methylidene)2sulfanylpyrimidine46(1H5H)dione
CN1CCN(CC1)NC=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)OC
COc1ccc(cc1)N1C(=NC(=O)C(=CNN2CCN(CC2)C)C1=O)S
InChI=1SC17H21N5O3Sc1207921(10820)18111415(23)1917(26)22(16(14)24)123513(252)6412h361118H710H212H3(H192326)b1411+
MFCD04080306
ZINC000020330782
ZINC20330782
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