Vitas-M small molecule compound
2-{[5-(methylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-1-phenylethanone
Catalog ID
STK697961
SMILES CSc1nc2sc3c(c2c2n1c(SCC(=O)c1ccccc1)nn2)CCCC3
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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 C20H18N4OS3 MW 426.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4OS3/c1-26-19-21-18-16(13-9-5-6-10-15(13)28-18)17-22-23-20(24(17)19)27-11-14(25)12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-11H2,1H3InChIKey
CKMZKHMDGLPUEY-UHFFFAOYSA-NSynonyms
371950-30-02((5(methylsulfanyl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)1phenylethanone
2((5(methylthio)891011tetrahydrobenzo(45)thieno(32e)(124)triazolo(43c)pyrimidin3yl)thio)1phenylethanone
371950300
CSC1=NC2=C(C3=C(S2)CCCC3)C4=NN=C(N41)SCC(=O)C5=CC=CC=C5
InChI=1SC20H18N4OS3c12619211816(139561015(13)2818)17222320(24(17)19)271114(25)127324812h2478H56911H21H3
MFCD01856735
ZINC000002268800
ZINC02268800
ZINC2268800
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