Vitas-M small molecule compound
(5E)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK533892
SMILES COc1ccc(cc1)N1C(=S)NC(=O)/C(=C\NCCCn2ccnc2)/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 C18H19N5O3S MW 385.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N5O3S/c1-26-14-5-3-13(4-6-14)23-17(25)15(16(24)21-18(23)27)11-19-7-2-9-22-10-8-20-12-22/h3-6,8,10-12,19H,2,7,9H2,1H3,(H,21,24,27)/b15-11+InChIKey
MTPOMCDKWNDUJG-RVDMUPIBSA-NSynonyms
(5E)5(((3(1Himidazol1yl)propyl)amino)methylidene)1(4methoxyphenyl)2thioxodihydropyrimidine46(1H5H)dione
(5E)5((3IMIDAZOL1YLPROPYLAMINO)METHYLIDENE)1(4METHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(E)5(((3(1Himidazol1yl)propyl)amino)methylene)1(4methoxyphenyl)2thioxodihydropyrimidine46(1H5H)dione
COC1=CC=C(C=C1)N2C(=O)C(=CNCCCN3C=CN=C3)C(=O)NC2=S
COc1ccc(cc1)N1C(=S)NC(=O)C(=CNCCCn2ccnc2)C1=O
InChI=1SC18H19N5O3Sc126145313(4614)2317(25)15(16(24)2118(23)27)111972922108201222h368101219H279H21H3(H212427)b1511+
MFCD02986665
ZINC000006420350
ZINC000102413541
ZINC06420350
ZINC6420350
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