Vitas-M small molecule compound
4-benzyl-1-{[2-(4-chlorophenyl)-2-oxoethyl]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
STK538939
SMILES CC(C1OCc2c(C1)c1c(s2)n2c(SCC(=O)c3ccc(cc3)Cl)nnc2n(c1=O)Cc1ccccc1)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 C28H25ClN4O3S2 MW 565.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25ClN4O3S2/c1-16(2)22-12-20-23(14-36-22)38-26-24(20)25(35)32(13-17-6-4-3-5-7-17)27-30-31-28(33(26)27)37-15-21(34)18-8-10-19(29)11-9-18/h3-11,16,22H,12-15H2,1-2H3InChIKey
RJJHZTCVIXDORI-UHFFFAOYSA-NSynonyms
4benzyl1((2(4chlorophenyl)2oxoethyl)sulfanyl)7(propan2yl)69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
4benzyl1((2(4chlorophenyl)2oxoethyl)thio)7isopropyl67dihydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(9H)one
CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC(=O)C5=CC=C(C=C5)Cl)CC6=CC=CC=C6
InChI=1SC28H25ClN4O3S2c116(2)22122023(143622)382624(20)25(35)32(13176435717)27303128(33(26)27)371521(34)1881019(29)11918h3111622H1215H212H3
MFCD03284734
ZINC000001777662
ZINC000001777664
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