Vitas-M small molecule compound
ethyl 2-({[(2-iodophenyl)carbonyl]carbamothioyl}amino)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK062475
SMILES CCOC(=O)c1c(NC(=S)NC(=O)c2ccccc2I)sc2c1CCC(C2)C(CC)(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 C24H29IN2O3S2 MW 584.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29IN2O3S2/c1-5-24(3,4)14-11-12-16-18(13-14)32-21(19(16)22(29)30-6-2)27-23(31)26-20(28)15-9-7-8-10-17(15)25/h7-10,14H,5-6,11-13H2,1-4H3,(H2,26,27,28,31)InChIKey
PRSSRUYMYYYHFI-UHFFFAOYSA-NSynonyms
CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=S)NC(=O)C3=CC=CC=C3I
CCOC(=O)c1c(NC(=S)NC(=O)c2ccccc2I)sc2c1CCC(C2)C(CC)(C)C
ethyl2((((2iodophenyl)carbonyl)carbamothioyl)amino)6(2methylbutan2yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2((2iodobenzoyl)carbamothioylamino)6(2methylbutan2yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2(3(2iodobenzoyl)thioureido)6(tertpentyl)4567tetrahydrobenzo(b)thiophene3carboxylate
InChI=1SC24H29IN2O3S2c1524(34)1411121618(1314)3221(19(16)22(29)3062)2723(31)2620(28)159781017(15)25h71014H561113H214H3(H226272831)
MFCD03062769
STK062475
ZINC000001876815
ZINC000001876816
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