Vitas-M small molecule compound
1-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-(2-methylphenyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK532238
SMILES Brc1ccc(cc1)C(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1C)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 C26H21BrN4O2S2 MW 565.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21BrN4O2S2/c1-15-6-2-4-8-19(15)30-23(33)22-18-7-3-5-9-21(18)35-24(22)31-25(30)28-29-26(31)34-14-20(32)16-10-12-17(27)13-11-16/h2,4,6,8,10-13H,3,5,7,9,14H2,1H3InChIKey
RBBYKNXGXWLGNV-UHFFFAOYSA-NSynonyms
1((2(4bromophenyl)2oxoethyl)sulfanyl)4(2methylphenyl)6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((2(4bromophenyl)2oxoethyl)thio)4(otolyl)6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC1=CC=CC=C1N2C(=O)C3=C(N4C2=NN=C4SCC(=O)C5=CC=C(C=C5)Br)SC6=C3CCCC6
InChI=1SC26H21BrN4O2S2c115624819(15)3023(33)2218735921(18)3524(22)3125(30)282926(31)341420(32)16101217(27)131116h24681013H357914H21H3
MFCD02998869
ZINC000001822543
ZINC01822543
ZINC1822543
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