Vitas-M small molecule compound
1-[(4-methoxybenzyl)sulfanyl]-4-(4-methoxyphenyl)-8-methyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK722735
SMILES COc1ccc(cc1)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)OC)CCC(C3)C
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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 C27H26N4O3S2 MW 518.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O3S2/c1-16-4-13-21-22(14-16)36-25-23(21)24(32)30(18-7-11-20(34-3)12-8-18)26-28-29-27(31(25)26)35-15-17-5-9-19(33-2)10-6-17/h5-12,16H,4,13-15H2,1-3H3InChIKey
DDVIFOFBCUMDOA-UHFFFAOYSA-NSynonyms
1((4methoxybenzyl)sulfanyl)4(4methoxyphenyl)8methyl6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((4methoxybenzyl)thio)4(4methoxyphenyl)8methyl6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC1CCC2=C(C1)SC3=C2C(=O)N(C4=NN=C(N34)SCC5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC
InChI=1SC27H26N4O3S2c1164132122(1416)362523(21)24(32)30(1871120(343)12818)26282927(31(25)26)3515175919(332)10617h51216H41315H213H3
MFCD02236986
ZINC000002295431
ZINC000002295432
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