Vitas-M small molecule compound
methyl 2-({[(4-oxo-5-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetyl}amino)benzoate
Catalog ID
STK985793
SMILES COC(=O)c1ccccc1NC(=O)CSc1nc2[nH]ncc2c(=O)n1c1ccccc1
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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 C21H17N5O4S MW 435.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5O4S/c1-30-20(29)14-9-5-6-10-16(14)23-17(27)12-31-21-24-18-15(11-22-25-18)19(28)26(21)13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H,22,25)(H,23,27)InChIKey
IXNADQDNDUYXCR-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC=C4
COC(=O)c1ccccc1NC(=O)CSc1nc2(nH)ncc2c(=O)n1c1ccccc1
InChI=1SC21H17N5O4Sc13020(29)149561016(14)2317(27)123121241815(11222518)19(28)26(21)137324813h211H12H21H3(H2225)(H2327)
methyl2((((4oxo5phenyl45dihydro1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)acetyl)amino)benzoate
methyl2((2((4oxo5phenyl1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)acetyl)amino)benzoate
MFCD18182742
ZINC000051316697
ZINC51316697
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