Vitas-M small molecule compound
prop-2-en-1-yl 2-[(2-methoxy-2-oxoethyl)sulfanyl]-5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STK231408
SMILES C=CCOC(=O)C1=C(C)Nc2n(C1c1ccc(cc1)[N+](=O)[O-])nc(n2)SCC(=O)OC
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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 C19H19N5O6S MW 445.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N5O6S/c1-4-9-30-17(26)15-11(2)20-18-21-19(31-10-14(25)29-3)22-23(18)16(15)12-5-7-13(8-6-12)24(27)28/h4-8,16H,1,9-10H2,2-3H3,(H,20,21,22)InChIKey
GJDKXIJEUZKTKX-UHFFFAOYSA-NSynonyms
C=CCOC(=O)C1=C(C)Nc2n(C1c1ccc(cc1)(N+)(=O)(O))nc(n2)SCC(=O)OC
CC1=C(C(N2C(=N1)N=C(N2)SCC(=O)OC)C3=CC=C(C=C3)(N+)(=O)(O))C(=O)OCC=C
InChI=1SC19H19N5O6Sc1493017(26)1511(2)20182119(311014(25)293)2223(18)16(15)125713(8612)24(27)28h4816H1910H223H3(H202122)
METHYL2(5METHYL7(4NITROPHENYL)6(PROP2ENYLOXYCARBONYL)478TRIHYDRO124TRIAZOLO(15A)PYRIMIDIN2YLTHIO)ACETATE
MFCD06755118
prop2en1yl2((2methoxy2oxoethyl)sulfanyl)5methyl7(4nitrophenyl)47dihydro(124)triazolo(15a)pyrimidine6carboxylate
prop2enyl2(2methoxy2oxoethyl)sulfanyl5methyl7(4nitrophenyl)17dihydro(124)triazolo(15a)pyrimidine6carboxylate
ZINC000009427089
ZINC000009427090
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