Vitas-M small molecule compound
methyl 2-[({4-[(4-butylphenyl)sulfonyl]piperazin-1-yl}carbonothioyl)amino]-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STK472782
SMILES CCCCc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=S)Nc1sc(c(c1C(=O)OC)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 C23H31N3O4S3 MW 509.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31N3O4S3/c1-5-6-7-18-8-10-19(11-9-18)33(28,29)26-14-12-25(13-15-26)23(31)24-21-20(22(27)30-4)16(2)17(3)32-21/h8-11H,5-7,12-15H2,1-4H3,(H,24,31)InChIKey
IQPMBKAOCYIDOJ-UHFFFAOYSA-NSynonyms
CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C(=C(S3)C)C)C(=O)OC
InChI=1SC23H31N3O4S3c15671881019(11918)33(2829)26141225(131526)23(31)242120(22(27)304)16(2)17(3)3221h811H571215H214H3(H2431)
methyl2(((4((4butylphenyl)sulfonyl)piperazin1yl)carbonothioyl)amino)45dimethylthiophene3carboxylate
METHYL2(((4((4BUTYLPHENYL)SULFONYL)PIPERAZINYL)THIOXOMETHYL)AMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
methyl2((4(4butylphenyl)sulfonylpiperazine1carbothioyl)amino)45dimethylthiophene3carboxylate
MFCD07076314
ZINC000020594932
ZINC20594932
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