Vitas-M small molecule compound

ethyl 2-({[(1-benzyl-2,3-dimethyl-1H-indol-5-yl)carbonyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STL174288
SMILES CCOC(=O)c1c(NC(=S)NC(=O)c2ccc3c(c2)c(C)c(n3Cc2ccccc2)C)sc2c1CCC(C2)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 C31H33N3O3S2 MW 559.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33N3O3S2/c1-5-37-30(36)27-23-13-11-18(2)15-26(23)39-29(27)33-31(38)32-28(35)22-12-14-25-24(16-22)19(3)20(4)34(25)17-21-9-7-6-8-10-21/h6-10,12,14,16,18H,5,11,13,15,17H2,1-4H3,(H2,32,33,35,38)
InChIKey
HXFPWNLEAWXFFA-UHFFFAOYSA-N
Synonyms
445239-72-5
445239725
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC(=O)C3=CC4=C(C=C3)N(C(=C4C)C)CC5=CC=CC=C5
ethyl2((((1benzyl23dimethyl1Hindol5yl)carbonyl)carbamothioyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((1benzyl23dimethylindole5carbonyl)carbamothioylamino)6methyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC31H33N3O3S2c153730(36)2723131118(2)1526(23)3929(27)3331(38)3228(35)2212142524(1622)19(3)20(4)34(25)172197681021h61012141618H511131517H214H3(H232333538)
MFCD02608900
ZINC000002108984
ZINC000002108986

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Available files

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