Vitas-M small molecule compound
3-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Catalog ID
STK543149
SMILES Cc1nc2sc3c(c2c2n1c(SCc1ccc4c(c1)OCO4)nn2)CC(OC3)(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 C21H20N4O3S2 MW 440.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O3S2/c1-11-22-19-17(13-7-21(2,3)28-8-16(13)30-19)18-23-24-20(25(11)18)29-9-12-4-5-14-15(6-12)27-10-26-14/h4-6H,7-10H2,1-3H3InChIKey
OUTRDZVNTLHMDN-UHFFFAOYSA-NSynonyms
500270-38-23((13benzodioxol5ylmethyl)sulfanyl)51010trimethyl1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidine
3((benzo(d)(13)dioxol5ylmethyl)thio)51010trimethyl1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidine
500270382
CC1=NC2=C(C3=C(S2)COC(C3)(C)C)C4=NN=C(N14)SCC5=CC6=C(C=C5)OCO6
InChI=1SC21H20N4O3S2c111221917(13721(23)28816(13)3019)18232420(25(11)18)29912451415(612)27102614h46H710H213H3
MFCD03299854
ZINC000001247305
ZINC01247305
ZINC1247305
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