Vitas-M small molecule compound
ethyl 1-(4-chlorophenyl)-4-[4-(diethylamino)phenyl]-5-(thiophen-2-yl)-4,5-dihydro-1H-1,2,4-triazole-3-carboxylate
Catalog ID
STK535332
SMILES CCOC(=O)C1=NN(C(N1c1ccc(cc1)N(CC)CC)c1cccs1)c1ccc(cc1)Cl
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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 C25H27ClN4O2S MW 483.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27ClN4O2S/c1-4-28(5-2)19-13-15-20(16-14-19)29-23(25(31)32-6-3)27-30(21-11-9-18(26)10-12-21)24(29)22-8-7-17-33-22/h7-17,24H,4-6H2,1-3H3InChIKey
NIDSJGVWQZMTCD-UHFFFAOYSA-NSynonyms
CCN(CC)C1=CC=C(C=C1)N2C(N(N=C2C(=O)OCC)C3=CC=C(C=C3)Cl)C4=CC=CS4
ETHYL(5R)1(4CHLOROPHENYL)4(4(DIETHYLAMINO)PHENYL)5(THIOPHEN2YL)45DIHYDRO1H124TRIAZOLE3CARBOXYLATE
ethyl1(4chlorophenyl)4(4(diethylamino)phenyl)5(thiophen2yl)45dihydro1H124triazole3carboxylate
ETHYL1(4CHLOROPHENYL)4(4(DIETHYLAMINO)PHENYL)5THIOPHEN2YL45DIHYDRO1H124TRIAZOLE3CARBOXYLATE
ETHYL2(4CHLOROPHENYL)4(4(DIETHYLAMINO)PHENYL)3THIOPHEN2YL3H124TRIAZOLE5CARBOXYLATE
InChI=1SC25H27ClN4O2Sc1428(52)19131520(161419)2923(25(31)3263)2730(2111918(26)101221)24(29)2287173322h71724H46H213H3
MFCD01836786
ZINC000001901532
ZINC000001901533
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