Vitas-M small molecule compound
ethyl 4-(3-chloro-5-ethoxy-4-propoxyphenyl)-6-propyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL181630
SMILES CCCOc1c(Cl)cc(cc1OCC)C1NC(=S)NC(=C1C(=O)OCC)CCC
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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 C21H29ClN2O4S MW 440.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29ClN2O4S/c1-5-9-15-17(20(25)27-8-4)18(24-21(29)23-15)13-11-14(22)19(28-10-6-2)16(12-13)26-7-3/h11-12,18H,5-10H2,1-4H3,(H2,23,24,29)InChIKey
LBKWPPFAWNXQAL-UHFFFAOYSA-NSynonyms
CCCC1=C(C(NC(=S)N1)C2=CC(=C(C(=C2)Cl)OCCC)OCC)C(=O)OCC
ETHYL4(3CHLORO5ETHOXY4PROPOXYPHENYL)6PROPYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
ethyl4(3chloro5ethoxy4propoxyphenyl)6propyl2thioxo1234tetrahydropyrimidine5carboxylate
InChI=1SC21H29ClN2O4Sc1591517(20(25)2784)18(2421(29)2315)131114(22)19(281062)16(1213)2673h111218H510H214H3(H2232429)
MFCD05996025
ZINC000016382401
ZINC000016382404
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