Vitas-M small molecule compound
2-{[5-(3,4-difluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide
Catalog ID
STK985854
SMILES COc1ccc(c(c1)NC(=O)CSc1nc2[nH]ncc2c(=O)n1c1ccc(c(c1)F)F)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 C21H17F2N5O4S MW 473.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17F2N5O4S/c1-31-12-4-6-17(32-2)16(8-12)25-18(29)10-33-21-26-19-13(9-24-27-19)20(30)28(21)11-3-5-14(22)15(23)7-11/h3-9H,10H2,1-2H3,(H,24,27)(H,25,29)InChIKey
MYQAVVWRSQWLBK-UHFFFAOYSA-NSynonyms
2((5(34difluorophenyl)4oxo1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)N(25dimethoxyphenyl)acetamide
2((5(34difluorophenyl)4oxo45dihydro1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)N(25dimethoxyphenyl)acetamide
COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC(=C(C=C4)F)F
COc1ccc(c(c1)NC(=O)CSc1nc2(nH)ncc2c(=O)n1c1ccc(c(c1)F)F)OC
InChI=1SC21H17F2N5O4Sc131124617(322)16(812)2518(29)103321261913(9242719)20(30)28(21)113514(22)15(23)711h39H10H212H3(H2427)(H2529)
MFCD18182791
ZINC000051316775
ZINC51316775
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