Vitas-M small molecule compound
tert-butyl [1-benzyl-2-hydroxy-4,6-dioxo-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]carbamate
Catalog ID
STK936529
SMILES O=C(NC1(C(=O)Nc2c1c(=O)nc(n2Cc1ccccc1)O)C(F)(F)F)OC(C)(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 C19H19F3N4O5 MW 440.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19F3N4O5/c1-17(2,3)31-16(30)25-18(19(20,21)22)11-12(23-14(18)28)26(15(29)24-13(11)27)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,23,28)(H,25,30)(H,24,27,29)InChIKey
WOCKKTAXMOZQBH-UHFFFAOYSA-NSynonyms
1224170-61-91224170619
CC(C)(C)OC(=O)NC1(C2=C(NC1=O)N(C(=O)NC2=O)CC3=CC=CC=C3)C(F)(F)F
InChI=1SC19H19F3N4O5c117(23)3116(30)2518(19(2021)22)1112(2314(18)28)26(15(29)2413(11)27)9107546810h48H9H213H3(H2328)(H2530)(H242729)
MFCD18178383
tertbutyl(1benzyl2hydroxy46dioxo5(trifluoromethyl)4567tetrahydro1Hpyrrolo(23d)pyrimidin5yl)carbamate
tertbutylN(1benzyl246trioxo5(trifluoromethyl)7Hpyrrolo(23d)pyrimidin5yl)carbamate
ZINC000101687129
ZINC000101687135
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