Vitas-M small molecule compound
methyl 5-(dimethylcarbamoyl)-4-methyl-2-{[(2-{[4-(propan-2-yl)phenyl]carbonyl}hydrazinyl)carbonothioyl]amino}thiophene-3-carboxylate
Catalog ID
STK441946
SMILES COC(=O)c1c(NC(=S)NNC(=O)c2ccc(cc2)C(C)C)sc(c1C)C(=O)N(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 C21H26N4O4S2 MW 462.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O4S2/c1-11(2)13-7-9-14(10-8-13)17(26)23-24-21(30)22-18-15(20(28)29-6)12(3)16(31-18)19(27)25(4)5/h7-11H,1-6H3,(H,23,26)(H2,22,24,30)InChIKey
GKJYLEABRVXRAH-UHFFFAOYSA-NSynonyms
CC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=CC=C(C=C2)C(C)C)C(=O)N(C)C
InChI=1SC21H26N4O4S2c111(2)137914(10813)17(26)232421(30)221815(20(28)296)12(3)16(3118)19(27)25(4)5h711H16H3(H2326)(H2222430)
methyl5(dimethylcarbamoyl)4methyl2(((2((4(propan2yl)phenyl)carbonyl)hydrazinyl)carbonothioyl)amino)thiophene3carboxylate
methyl5(dimethylcarbamoyl)4methyl2(((4propan2ylbenzoyl)amino)carbamothioylamino)thiophene3carboxylate
METHYL5(NNDIMETHYLCARBAMOYL)4METHYL2(((((4(METHYLETHYL)PHENYL)CARBONYLAMINO)AMINO)THIOXOMETHYL)AMINO)THIOPHENE3CARBOXYLATE
MFCD03900586
ZINC000020294880
ZINC20294880
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