Vitas-M small molecule compound
methyl 4-ethyl-5-methyl-2-({[1-(3-phenoxybenzyl)-1H-pyrazol-4-yl]carbamothioyl}amino)thiophene-3-carboxylate
Catalog ID
STK437008
SMILES COC(=O)c1c(NC(=S)Nc2cnn(c2)Cc2cccc(c2)Oc2ccccc2)sc(c1CC)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 C26H26N4O3S2 MW 506.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O3S2/c1-4-22-17(2)35-24(23(22)25(31)32-3)29-26(34)28-19-14-27-30(16-19)15-18-9-8-12-21(13-18)33-20-10-6-5-7-11-20/h5-14,16H,4,15H2,1-3H3,(H2,28,29,34)InChIKey
VFYOXMUOSWJQIE-UHFFFAOYSA-NSynonyms
CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CN(N=C2)CC3=CC(=CC=C3)OC4=CC=CC=C4)C
InChI=1SC26H26N4O3S2c142217(2)3524(23(22)25(31)323)2926(34)2819142730(1619)1518981221(1318)3320106571120h51416H415H213H3(H2282934)
METHYL4ETHYL5METHYL2((((1((3PHENOXYPHENYL)METHYL)PYRAZOL4YL)AMINO)THIOXOMETHYL)AMINO)THIOPHENE3CARBOXYLATE
methyl4ethyl5methyl2(((1(3phenoxybenzyl)1Hpyrazol4yl)carbamothioyl)amino)thiophene3carboxylate
METHYL4ETHYL5METHYL2((1((3PHENOXYPHENYL)METHYL)PYRAZOL4YL)CARBAMOTHIOYLAMINO)THIOPHENE3CARBOXYLATE
MFCD03945254
ZINC000020191545
ZINC20191545
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