Vitas-M small molecule compound
1-[(4-methoxybenzyl)sulfanyl]-4-(3-methylphenyl)-7-(propan-2-yl)-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
STK543547
SMILES COc1ccc(cc1)CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)CC(OC3)C(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/c1-16(2)22-13-21-23(14-35-22)37-26-24(21)25(33)31(19-7-5-6-17(3)12-19)27-29-30-28(32(26)27)36-15-18-8-10-20(34-4)11-9-18/h5-12,16,22H,13-15H2,1-4H3InChIKey
QNVAVASOJBQWNX-UHFFFAOYSA-NSynonyms
500278-98-81((4methoxybenzyl)sulfanyl)4(3methylphenyl)7(propan2yl)69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
500278988
7isopropyl1((4methoxybenzyl)thio)4(mtolyl)67dihydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(9H)one
CC1=CC(=CC=C1)N2C(=O)C3=C(N4C2=NN=C4SCC5=CC=C(C=C5)OC)SC6=C3CC(OC6)C(C)C
InChI=1SC28H28N4O3S2c116(2)22132123(143522)372624(21)25(33)31(1975617(3)1219)27293028(32(26)27)36151881020(344)11918h5121622H1315H214H3
MFCD03305300
ZINC000001822797
ZINC000001822798
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