Vitas-M small molecule compound
4-[(1-benzyl-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-6-yl)carbonothioyl]piperazine-1-carbaldehyde
Catalog ID
STL436286
SMILES O=CN1CCN(CC1)C(=S)c1ccc2c(c1)C(C)CC(N2Cc1ccccc1)(C)C
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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 C25H31N3OS MW 421.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N3OS/c1-19-16-25(2,3)28(17-20-7-5-4-6-8-20)23-10-9-21(15-22(19)23)24(30)27-13-11-26(18-29)12-14-27/h4-10,15,18-19H,11-14,16-17H2,1-3H3InChIKey
GLNQARHNVAJXGP-UHFFFAOYSA-NSynonyms
4((1benzyl224trimethyl1234tetrahydroquinolin6yl)carbonothioyl)piperazine1carbaldehyde
4(1benzyl224trimethyl34dihydroquinoline6carbothioyl)piperazine1carbaldehyde
CC1CC(N(C2=C1C=C(C=C2)C(=S)N3CCN(CC3)C=O)CC4=CC=CC=C4)(C)C
InChI=1SC25H31N3OSc1191625(23)28(17207546820)2310921(1522(19)23)24(30)27131126(1829)121427h410151819H11141617H213H3
MFCD30711928
ZINC000226074816
ZINC000226074829
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