Vitas-M small molecule compound
N-(3-fluoro-4-methylphenyl)-2-[(4-oxo-5-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide
Catalog ID
STK985809
SMILES O=C(Nc1ccc(c(c1)F)C)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 C20H16FN5O2S MW 409.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16FN5O2S/c1-12-7-8-13(9-16(12)21)23-17(27)11-29-20-24-18-15(10-22-25-18)19(28)26(20)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,22,25)(H,23,27)InChIKey
HYZFTIKETLCWOD-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC=C4)F
InChI=1SC20H16FN5O2Sc1127813(916(12)21)2317(27)112920241815(10222518)19(28)26(20)145324614h210H11H21H3(H2225)(H2327)
MFCD18182754
N(3fluoro4methylphenyl)2((4oxo5phenyl1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)acetamide
N(3fluoro4methylphenyl)2((4oxo5phenyl45dihydro1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)acetamide
O=C(Nc1ccc(c(c1)F)C)CSc1nc2(nH)ncc2c(=O)n1c1ccccc1
ZINC000051316716
ZINC51316716
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