Vitas-M small molecule compound

ethyl 2-({[4-(diphenylmethyl)piperazin-1-yl]acetyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate

Catalog ID
STK622530
SMILES CCOC(=O)c1c(NC(=O)CN2CCN(CC2)C(c2ccccc2)c2ccccc2)sc2c1CC(C)(C)OC2

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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 C31H37N3O4S MW 547.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H37N3O4S/c1-4-37-30(36)27-24-19-31(2,3)38-21-25(24)39-29(27)32-26(35)20-33-15-17-34(18-16-33)28(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-14,28H,4,15-21H2,1-3H3,(H,32,35)
InChIKey
MQPZMRZFDIDGCT-UHFFFAOYSA-N
Synonyms
848920-15-0
848920150
CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5
ethyl2(((4(diphenylmethyl)piperazin1yl)acetyl)amino)55dimethyl47dihydro5Hthieno(23c)pyran3carboxylate
ETHYL2((2(4BENZHYDRYLPIPERAZIN1YL)ACETYL)AMINO)55DIMETHYL47DIHYDROTHIENO(23C)PYRAN3CARBOXYLATE
ethyl2(2(4benzhydrylpiperazin1yl)acetamido)55dimethyl57dihydro4Hthieno(23c)pyran3carboxylate
InChI=1SC31H37N3O4Sc143730(36)27241931(23)382125(24)3929(27)3226(35)2033151734(181633)28(22117581222)231396101423h51428H41521H213H3(H3235)
MFCD05677324
ZINC000097954851
ZINC97954851

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.