Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-2-{[5-(3,4-difluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Catalog ID
STK985861
SMILES O=C(Nc1ccc2c(c1)OCO2)CSc1nc2[nH]ncc2c(=O)n1c1ccc(c(c1)F)F
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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 C20H13F2N5O4S MW 457.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13F2N5O4S/c21-13-3-2-11(6-14(13)22)27-19(29)12-7-23-26-18(12)25-20(27)32-8-17(28)24-10-1-4-15-16(5-10)31-9-30-15/h1-7H,8-9H2,(H,23,26)(H,24,28)InChIKey
KBONPSNRMWZDJE-UHFFFAOYSA-NSynonyms
C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC4=C(C=NN4)C(=O)N3C5=CC(=C(C=C5)F)F
InChI=1SC20H13F2N5O4Sc21133211(614(13)22)2719(29)127232618(12)2520(27)32817(28)2410141516(510)3193015h17H89H2(H2326)(H2428)
MFCD18182798
N(13benzodioxol5yl)2((5(34difluorophenyl)4oxo1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)acetamide
N(13benzodioxol5yl)2((5(34difluorophenyl)4oxo45dihydro1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)acetamide
O=C(Nc1ccc2c(c1)OCO2)CSc1nc2(nH)ncc2c(=O)n1c1ccc(c(c1)F)F
ZINC000051316785
ZINC51316785
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