Vitas-M small molecule compound
1-[(4-bromobenzyl)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
STK553257
SMILES Cc1cccc(c1)n1c(=O)c2c3CC(OCc3sc2n2c1nnc2SCc1ccc(cc1)Br)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 C27H25BrN4O2S2 MW 581.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25BrN4O2S2/c1-15(2)21-12-20-22(13-34-21)36-25-23(20)24(33)31(19-6-4-5-16(3)11-19)26-29-30-27(32(25)26)35-14-17-7-9-18(28)10-8-17/h4-11,15,21H,12-14H2,1-3H3InChIKey
JRXQFHOSBPAJTG-UHFFFAOYSA-NSynonyms
1((4bromobenzyl)sulfanyl)4(3methylphenyl)7(propan2yl)69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((4bromobenzyl)thio)7isopropyl4(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)Br)SC6=C3CC(OC6)C(C)C
InChI=1SC27H25BrN4O2S2c115(2)21122022(133421)362523(20)24(33)31(1964516(3)1119)26293027(32(25)26)3514177918(28)10817h4111521H1214H213H3
MFCD03692013
ZINC000001875866
ZINC000001875867
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