Vitas-M small molecule compound
2-(5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzoic acid
Catalog ID
STK583246
SMILES OC(=O)c1ccccc1c1nn2c(n1)c1c(nc2C)sc2c1CC(C)(C)OC2
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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 C20H18N4O3S MW 394.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O3S/c1-10-21-18-15(13-8-20(2,3)27-9-14(13)28-18)17-22-16(23-24(10)17)11-6-4-5-7-12(11)19(25)26/h4-7H,8-9H2,1-3H3,(H,25,26)InChIKey
QVIYRYUYIYMADR-UHFFFAOYSA-NSynonyms
898621-86-82(51010trimethyl1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(15c)pyrimidin2yl)benzoicacid
898621868
CC1=NC2=C(C3=C(S2)COC(C3)(C)C)C4=NC(=NN14)C5=CC=CC=C5C(=O)O
InChI=1SC20H18N4O3Sc110211815(13820(23)27914(13)2818)172216(2324(10)17)11645712(11)19(25)26h47H89H213H3(H2526)
MFCD06610559
ZINC000002350221
ZINC2350221
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