Vitas-M small molecule compound
4-benzyl-1-{[1-(morpholin-4-yl)-1-oxopropan-2-yl]sulfanyl}-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
STK538684
SMILES CC(C1OCc2c(C1)c1c(s2)n2c(nnc2n(c1=O)Cc1ccccc1)SC(C(=O)N1CCOCC1)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 C27H31N5O4S2 MW 553.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N5O4S2/c1-16(2)20-13-19-21(15-36-20)38-25-22(19)24(34)31(14-18-7-5-4-6-8-18)26-28-29-27(32(25)26)37-17(3)23(33)30-9-11-35-12-10-30/h4-8,16-17,20H,9-15H2,1-3H3InChIKey
MQCRPFBBKCVLQF-UHFFFAOYSA-NSynonyms
4benzyl1((1(morpholin4yl)1oxopropan2yl)sulfanyl)7(propan2yl)69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
4benzyl7isopropyl1((1morpholino1oxopropan2yl)thio)67dihydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(9H)one
CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SC(C)C(=O)N5CCOCC5)CC6=CC=CC=C6
InChI=1SC27H31N5O4S2c116(2)20131921(153620)382522(19)24(34)31(14187546818)26282927(32(25)26)3717(3)23(33)3091135121030h48161720H915H213H3
MFCD03006592
ZINC000001248832
ZINC000001248835
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