Vitas-M small molecule compound
1-[(4-methoxybenzyl)sulfanyl]-7,7-dimethyl-4-(2-phenylethyl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK721028
SMILES COc1ccc(cc1)CSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CC(OC3)(C)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 C28H28N4O3S2 MW 532.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O3S2/c1-28(2)15-21-22(16-35-28)37-25-23(21)24(33)31(14-13-18-7-5-4-6-8-18)26-29-30-27(32(25)26)36-17-19-9-11-20(34-3)12-10-19/h4-12H,13-17H2,1-3H3InChIKey
HBCUKOFEQGRQGU-UHFFFAOYSA-NSynonyms
489463-36-71((4methoxybenzyl)sulfanyl)77dimethyl4(2phenylethyl)69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((4methoxybenzyl)thio)77dimethyl4phenethyl67dihydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(9H)one
489463367
CC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC5=CC=C(C=C5)OC)CCC6=CC=CC=C6)C
InChI=1SC28H28N4O3S2c128(2)152122(163528)372523(21)24(33)31(1413187546818)26293027(32(25)26)36171991120(343)121019h412H1317H213H3
MFCD03297661
ZINC000001302135
ZINC01302135
ZINC1302135
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