Vitas-M small molecule compound
N-{(1Z)-3-(2,6-dimethylmorpholin-4-yl)-3-oxo-1-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-1-en-2-yl}-4-methylbenzamide
Catalog ID
STK873214
SMILES CC1OC(C)CN(C1)C(=O)/C(=C/c1cn(nc1c1cccs1)c1ccccc1)/NC(=O)c1ccc(cc1)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 C30H30N4O3S MW 526.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N4O3S/c1-20-11-13-23(14-12-20)29(35)31-26(30(36)33-17-21(2)37-22(3)18-33)16-24-19-34(25-8-5-4-6-9-25)32-28(24)27-10-7-15-38-27/h4-16,19,21-22H,17-18H2,1-3H3,(H,31,35)/b26-16-InChIKey
TWKRPARXXHIOJK-QQXSKIMKSA-NSynonyms
CC1CN(CC(O1)C)C(=O)C(=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)NC(=O)C5=CC=C(C=C5)C
CC1OC(C)CN(C1)C(=O)C(=Cc1cn(nc1c1cccs1)c1ccccc1)NC(=O)c1ccc(cc1)C
InChI=1SC30H30N4O3Sc120111323(141220)29(35)3126(30(36)331721(2)3722(3)1833)16241934(258546925)3228(24)27107153827h416192122H1718H213H3(H3135)b2616
MFCD02972500
N((1Z)3(26dimethylmorpholin4yl)3oxo1(1phenyl3(thiophen2yl)1Hpyrazol4yl)prop1en2yl)4methylbenzamide
N((Z)3(26dimethylmorpholin4yl)3oxo1(1phenyl3thiophen2ylpyrazol4yl)prop1en2yl)4methylbenzamide
ZINC000012223385
ZINC000012223389
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