Vitas-M small molecule compound
{4-[2-(methylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}acetic acid
Catalog ID
STK650832
SMILES CSc1nc(N2CCN(CC2)CC(=O)O)c2c(n1)sc1c2CCCC1
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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 C17H22N4O2S2 MW 378.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N4O2S2/c1-24-17-18-15(21-8-6-20(7-9-21)10-13(22)23)14-11-4-2-3-5-12(11)25-16(14)19-17/h2-10H2,1H3,(H,22,23)InChIKey
CSWMJFZTWOFXAK-UHFFFAOYSA-NSynonyms
1144447-08-4(4(2(methylsulfanyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4yl)piperazin1yl)aceticacid
1144447084
2(4(2(methylthio)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4yl)piperazin1yl)aceticacid
2(4(2methylsulfanyl5678tetrahydro(1)benzothiolo(23d)pyrimidin4yl)piperazin1ium1yl)acetate
CSC1=NC(=C2C3=C(CCCC3)SC2=N1)N4CC(NH+)(CC4)CC(=O)(O)
InChI=1SC17H22N4O2S2c124171815(218620(7921)1013(22)23)1411423512(11)2516(14)1917h210H21H3(H2223)
MFCD12212505
ZINC000032074869
ZINC32074869
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