Vitas-M small molecule compound
1-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-methyl-4-(4-methylphenyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK532378
SMILES Cc1ccc(cc1)n1c(=O)c2c3C(C)CCCc3sc2n2c1nnc2SCC(=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 C27H23ClN4O2S2 MW 535.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClN4O2S2/c1-15-6-12-19(13-7-15)31-24(34)23-22-16(2)4-3-5-21(22)36-25(23)32-26(31)29-30-27(32)35-14-20(33)17-8-10-18(28)11-9-17/h6-13,16H,3-5,14H2,1-2H3InChIKey
FKBRVUNYIOILFH-UHFFFAOYSA-NSynonyms
1((2(4chlorophenyl)2oxoethyl)sulfanyl)6methyl4(4methylphenyl)6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((2(4chlorophenyl)2oxoethyl)thio)6methyl4(ptolyl)6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC1CCCC2=C1C3=C(S2)N4C(=NN=C4SCC(=O)C5=CC=C(C=C5)Cl)N(C3=O)C6=CC=C(C=C6)C
InChI=1SC27H23ClN4O2S2c11561219(13715)3124(34)232216(2)43521(22)3625(23)3226(31)293027(32)351420(33)1781018(28)11917h61316H3514H212H3
MFCD02987989
ZINC000001831793
ZINC000001831794
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