Vitas-M small molecule compound
1-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(4-methoxyphenyl)-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
STK539643
SMILES COc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CC(OCc1s2)C(C)C)SCC(=O)c1ccc(cc1)Cl
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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 C28H25ClN4O4S2 MW 581.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25ClN4O4S2/c1-15(2)22-12-20-23(13-37-22)39-26-24(20)25(35)32(18-8-10-19(36-3)11-9-18)27-30-31-28(33(26)27)38-14-21(34)16-4-6-17(29)7-5-16/h4-11,15,22H,12-14H2,1-3H3InChIKey
LQTSLFLPIXNZOX-UHFFFAOYSA-NSynonyms
1((2(4chlorophenyl)2oxoethyl)sulfanyl)4(4methoxyphenyl)7(propan2yl)69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((2(4chlorophenyl)2oxoethyl)thio)7isopropyl4(4methoxyphenyl)67dihydro4Hpyrano(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)C6=CC=C(C=C6)OC
InChI=1SC28H25ClN4O4S2c115(2)22122023(133722)392624(20)25(35)32(1881019(363)11918)27303128(33(26)27)381421(34)164617(29)7516h4111522H1214H213H3
MFCD03011252
ZINC000001831091
ZINC000001831092
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