Vitas-M small molecule compound
ethyl 4-amino-2-[(2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-2-oxoethyl)sulfanyl]pyrimidine-5-carboxylate
Catalog ID
STL359718
SMILES CCOC(=O)c1cnc(nc1N)SCC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2
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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 C20H24N4O5S2 MW 464.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N4O5S2/c1-3-28-18(26)12-9-22-20(24-16(12)21)30-10-14(25)23-17-15(19(27)29-4-2)11-7-5-6-8-13(11)31-17/h9H,3-8,10H2,1-2H3,(H,23,25)(H2,21,22,24)InChIKey
FXWKDLRYMLTLMN-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC
ethyl4amino2((2((3(ethoxycarbonyl)4567tetrahydro1benzothiophen2yl)amino)2oxoethyl)sulfanyl)pyrimidine5carboxylate
ethyl4amino2(2((3ethoxycarbonyl4567tetrahydro1benzothiophen2yl)amino)2oxoethyl)sulfanylpyrimidine5carboxylate
InChI=1SC20H24N4O5S2c132818(26)1292220(2416(12)21)301014(25)231715(19(27)2942)11756813(11)3117h9H3810H212H3(H2325)(H2212224)
MFCD07157233
ZINC000009184968
ZINC09184968
ZINC9184968
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