Vitas-M small molecule compound
[5-(thiophen-2-yl)-1H-pyrazol-3-yl][4-(2,3,4-trimethoxybenzyl)piperazin-1-yl]methanone
Catalog ID
STL027275
SMILES COc1ccc(c(c1OC)OC)CN1CCN(CC1)C(=O)c1n[nH]c(c1)c1cccs1
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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 C22H26N4O4S MW 442.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O4S/c1-28-18-7-6-15(20(29-2)21(18)30-3)14-25-8-10-26(11-9-25)22(27)17-13-16(23-24-17)19-5-4-12-31-19/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,24)InChIKey
HCEMPWZUPFAGKO-UHFFFAOYSA-NSynonyms
(5(thiophen2yl)1Hpyrazol3yl)(4(234trimethoxybenzyl)piperazin1yl)methanone
(5thiophen2yl1Hpyrazol3yl)(4((234trimethoxyphenyl)methyl)piperazin1yl)methanone
COC1=C(C(=C(C=C1)CN2CCN(CC2)C(=O)C3=NNC(=C3)C4=CC=CS4)OC)OC
COc1ccc(c(c1OC)OC)CN1CCN(CC1)C(=O)c1n(nH)c(c1)c1cccs1
InChI=1SC22H26N4O4Sc128187615(20(292)21(18)303)142581026(11925)22(27)171316(232417)1954123119h471213H81114H213H3(H2324)
MFCD18187929
ZINC000015679256
ZINC15679256
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