Vitas-M small molecule compound

methyl 2-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-4-(4-fluorophenyl)thiophene-3-carboxylate

Catalog ID
STK458986
SMILES COC(=O)c1c(scc1c1ccc(cc1)F)NC(=O)CN1CCN(CC1)Cc1ccc2c(c1)OCO2

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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 C26H26FN3O5S MW 511.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26FN3O5S/c1-33-26(32)24-20(18-3-5-19(27)6-4-18)15-36-25(24)28-23(31)14-30-10-8-29(9-11-30)13-17-2-7-21-22(12-17)35-16-34-21/h2-7,12,15H,8-11,13-14,16H2,1H3,(H,28,31)
InChIKey
NNIJMVJFXWSTJS-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5
InChI=1SC26H26FN3O5Sc13326(32)2420(183519(27)6418)153625(24)2823(31)143010829(91130)1317272122(1217)35163421h271215H811131416H21H3(H2831)
methyl2(((4(13benzodioxol5ylmethyl)piperazin1yl)acetyl)amino)4(4fluorophenyl)thiophene3carboxylate
methyl2((2(4(13benzodioxol5ylmethyl)piperazin1yl)acetyl)amino)4(4fluorophenyl)thiophene3carboxylate
METHYL2(2(4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL)ACETYLAMINO)4(4FLUOROPHENYL)THIOPHENE3CARBOXYLATE
MFCD05147823
ZINC000020220615
ZINC20220615

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Available files

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