Vitas-M small molecule compound
6-tert-butyl-N-(2,4-dimethylphenyl)-2-{[N-(2-phenylethyl)glycyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK385221
SMILES O=C(Nc1sc2c(c1C(=O)Nc1ccc(cc1C)C)CCC(C2)C(C)(C)C)CNCCc1ccccc1
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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 C31H39N3O2S MW 517.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H39N3O2S/c1-20-11-14-25(21(2)17-20)33-29(36)28-24-13-12-23(31(3,4)5)18-26(24)37-30(28)34-27(35)19-32-16-15-22-9-7-6-8-10-22/h6-11,14,17,23,32H,12-13,15-16,18-19H2,1-5H3,(H,33,36)(H,34,35)InChIKey
CYMYDNYYVCRHQS-UHFFFAOYSA-NSynonyms
6tertbutylN(24dimethylphenyl)2((2(2phenylethylamino)acetyl)amino)4567tetrahydro1benzothiophene3carboxamide
6tertbutylN(24dimethylphenyl)2((N(2phenylethyl)glycyl)amino)4567tetrahydro1benzothiophene3carboxamide
CC1=CC(=C(C=C1)NC(=O)C2=C(SC3=C2CCC(C3)C(C)(C)C)NC(=O)CNCCC4=CC=CC=C4)C
InChI=1SC31H39N3O2Sc120111425(21(2)1720)3329(36)2824131223(31(34)5)1826(24)3730(28)3427(35)193216152297681022h61114172332H121315161819H215H3(H3336)(H3435)
MFCD03103551
ZINC000015946072
ZINC000015946074
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