Vitas-M small molecule compound
1-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(4-methoxyphenyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK699023
SMILES COc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CCCCc1s2)SCC(=O)c1ccc(cc1)Cl
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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 C26H21ClN4O3S2 MW 537.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21ClN4O3S2/c1-34-18-12-10-17(11-13-18)30-23(33)22-19-4-2-3-5-21(19)36-24(22)31-25(30)28-29-26(31)35-14-20(32)15-6-8-16(27)9-7-15/h6-13H,2-5,14H2,1H3InChIKey
WALUMZXFGKNAHB-UHFFFAOYSA-NSynonyms
332393-22-31((2(4chlorophenyl)2oxoethyl)sulfanyl)4(4methoxyphenyl)6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((2(4chlorophenyl)2oxoethyl)thio)4(4methoxyphenyl)6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
332393223
COC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SCC(=O)C5=CC=C(C=C5)Cl)SC6=C3CCCC6
InChI=1SC26H21ClN4O3S2c13418121017(111318)3023(33)2219423521(19)3624(22)3125(30)282926(31)351420(32)156816(27)9715h613H2514H21H3
MFCD01875003
ZINC000002183412
ZINC02183412
ZINC2183412
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