Vitas-M small molecule compound

1-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-7,7-dimethyl-4-(2-phenylethyl)-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
STK721029
SMILES O=c1c2c3CC(C)(C)OCc3sc2n2c(n1CCc1ccccc1)nnc2SCc1ccc2c(c1)OCO2

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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 C28H26N4O4S2 MW 546.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O4S2/c1-28(2)13-19-22(14-36-28)38-25-23(19)24(33)31(11-10-17-6-4-3-5-7-17)26-29-30-27(32(25)26)37-15-18-8-9-20-21(12-18)35-16-34-20/h3-9,12H,10-11,13-16H2,1-2H3
InChIKey
KNOYGQLYXBRPGO-UHFFFAOYSA-N
Synonyms
489424-56-8
1((13benzodioxol5ylmethyl)sulfanyl)77dimethyl4(2phenylethyl)69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((benzo(d)(13)dioxol5ylmethyl)thio)77dimethyl4phenethyl67dihydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(9H)one
489424568
CC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC5=CC6=C(C=C5)OCO6)CCC7=CC=CC=C7)C
InChI=1SC28H26N4O4S2c128(2)131922(143628)382523(19)24(33)31(1110176435717)26293027(32(25)26)371518892021(1218)35163420h3912H10111316H212H3
MFCD03296967
ZINC000001306716
ZINC01306716
ZINC1306716

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Available files

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