Vitas-M small molecule compound
methyl 2-({[2-(cyclohexylcarbamothioyl)hydrazinyl]carbonothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
Catalog ID
STK457558
SMILES CCN(C(=O)c1sc(c(c1C)C(=O)OC)NC(=S)NNC(=S)NC1CCCCC1)CC
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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 C20H31N5O3S3 MW 485.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H31N5O3S3/c1-5-25(6-2)17(26)15-12(3)14(18(27)28-4)16(31-15)22-20(30)24-23-19(29)21-13-10-8-7-9-11-13/h13H,5-11H2,1-4H3,(H2,21,23,29)(H2,22,24,30)InChIKey
BXMNDICXAKBOMI-UHFFFAOYSA-NSynonyms
CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NNC(=S)NC2CCCCC2)C(=O)OC)C
InChI=1SC20H31N5O3S3c1525(62)17(26)1512(3)14(18(27)284)16(3115)2220(30)242319(29)2113108791113h13H511H214H3(H2212329)(H2222430)
methyl2(((2(cyclohexylcarbamothioyl)hydrazinyl)carbonothioyl)amino)5(diethylcarbamoyl)4methylthiophene3carboxylate
METHYL2((CYCLOHEXYLCARBAMOTHIOYLAMINO)CARBAMOTHIOYLAMINO)5(DIETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
METHYL5(NNDIETHYLCARBAMOYL)2(((2((CYCLOHEXYLAMINO)THIOXOMETHYL)HYDRAZINO)THIOXOMETHYL)AMINO)4METHYLTHIOPHENE3CARBOXYLATE
MFCD04136878
ZINC000016346264
ZINC16346264
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