Vitas-M small molecule compound
1-ethyl-N-phenyl-4-({[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]carbamothioyl}amino)-1H-pyrazole-3-carboxamide
Catalog ID
STK409859
SMILES COc1cc(/C=C/C(=O)NC(=S)Nc2cn(nc2C(=O)Nc2ccccc2)CC)cc(c1OC)OC
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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 C25H27N5O5S MW 509.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N5O5S/c1-5-30-15-18(22(29-30)24(32)26-17-9-7-6-8-10-17)27-25(36)28-21(31)12-11-16-13-19(33-2)23(35-4)20(14-16)34-3/h6-15H,5H2,1-4H3,(H,26,32)(H2,27,28,31,36)/b12-11+InChIKey
LARLIBLQAPZNNV-VAWYXSNFSA-NSynonyms
1ethylNphenyl4((((2E)3(345trimethoxyphenyl)prop2enoyl)carbamothioyl)amino)1Hpyrazole3carboxamide
1ethylNphenyl4(((E)3(345trimethoxyphenyl)prop2enoyl)carbamothioylamino)pyrazole3carboxamide
CCN1C=C(C(=N1)C(=O)NC2=CC=CC=C2)NC(=S)NC(=O)C=CC3=CC(=C(C(=C3)OC)OC)OC
COc1cc(C=CC(=O)NC(=S)Nc2cn(nc2C(=O)Nc2ccccc2)CC)cc(c1OC)OC
InChI=1SC25H27N5O5Sc15301518(22(2930)24(32)261797681017)2725(36)2821(31)1211161319(332)23(354)20(1416)343h615H5H214H3(H2632)(H227283136)b1211+
MFCD08122572
ZINC000020215317
ZINC20215317
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