Vitas-M small molecule compound
1-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-4-(2-phenylethyl)-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
STL408838
SMILES CC(C1OCc2c(C1)c1c(s2)n2c(SCc3ccc4c(c3)OCO4)nnc2n(c1=O)CCc1ccccc1)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 C29H28N4O4S2 MW 560.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N4O4S2/c1-17(2)22-13-20-24(14-35-22)39-27-25(20)26(34)32(11-10-18-6-4-3-5-7-18)28-30-31-29(33(27)28)38-15-19-8-9-21-23(12-19)37-16-36-21/h3-9,12,17,22H,10-11,13-16H2,1-2H3InChIKey
RRJBUDRJQZWSIK-UHFFFAOYSA-NSynonyms
1((13benzodioxol5ylmethyl)sulfanyl)4(2phenylethyl)7(propan2yl)69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((benzo(d)(13)dioxol5ylmethyl)thio)7isopropyl4phenethyl67dihydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(9H)one
CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC5=CC6=C(C=C5)OCO6)CCC7=CC=CC=C7
InChI=1SC29H28N4O4S2c117(2)22132024(143522)392725(20)26(34)32(1110186435718)28303129(33(27)28)381519892123(1219)37163621h39121722H10111316H212H3
MFCD03303506
ZINC000002604165
ZINC000002604166
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