Vitas-M small molecule compound
4-(4-methylphenyl)-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
STK721040
SMILES CC(C1OCc2c(C1)c1c(s2)n2c(nnc2n(c1=O)c1ccc(cc1)C)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/c1-15(2)20-13-19-21(14-36-20)38-25-22(19)24(34)31(18-7-5-16(3)6-8-18)26-28-29-27(32(25)26)37-17(4)23(33)30-9-11-35-12-10-30/h5-8,15,17,20H,9-14H2,1-4H3InChIKey
SIQKUFFXLJMGAJ-UHFFFAOYSA-NSynonyms
4(4methylphenyl)1((1(morpholin4yl)1oxopropan2yl)sulfanyl)7(propan2yl)69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
7isopropyl1((1morpholino1oxopropan2yl)thio)4(ptolyl)67dihydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(9H)one
CC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SC(C)C(=O)N5CCOCC5)SC6=C3CC(OC6)C(C)C
InChI=1SC27H31N5O4S2c115(2)20131921(143620)382522(19)24(34)31(187516(3)6818)26282927(32(25)26)3717(4)23(33)3091135121030h58151720H914H214H3
MFCD03284755
ZINC000001254237
ZINC000001254240
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