Vitas-M small molecule compound
prop-2-en-1-yl 5-methyl-2-[(3-methylbenzyl)sulfanyl]-7-(2-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STK233635
SMILES C=CCOC(=O)C1=C(C)Nc2n(C1c1ccccc1[N+](=O)[O-])nc(n2)SCc1cccc(c1)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 C24H23N5O4S MW 477.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23N5O4S/c1-4-12-33-22(30)20-16(3)25-23-26-24(34-14-17-9-7-8-15(2)13-17)27-28(23)21(20)18-10-5-6-11-19(18)29(31)32/h4-11,13,21H,1,12,14H2,2-3H3,(H,25,26,27)InChIKey
YWTXQSDETKODIG-UHFFFAOYSA-NSynonyms
C=CCOC(=O)C1=C(C)Nc2n(C1c1ccccc1(N+)(=O)(O))nc(n2)SCc1cccc(c1)C
CC1=CC(=CC=C1)CSC2=NC3=NC(=C(C(N3N2)C4=CC=CC=C4(N+)(=O)(O))C(=O)OCC=C)C
InChI=1SC24H23N5O4Sc14123322(30)2016(3)25232624(34141797815(2)1317)2728(23)21(20)1810561119(18)29(31)32h4111321H11214H223H3(H252627)
MFCD06755116
prop2en1yl5methyl2((3methylbenzyl)sulfanyl)7(2nitrophenyl)47dihydro(124)triazolo(15a)pyrimidine6carboxylate
prop2enyl5methyl2((3methylphenyl)methylsulfanyl)7(2nitrophenyl)17dihydro(124)triazolo(15a)pyrimidine6carboxylate
PROP2ENYL5METHYL2((3METHYLPHENYL)METHYLTHIO)7(2NITROPHENYL)478TRIHYDRO124TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
ZINC000009427239
ZINC000009427240
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