Vitas-M small molecule compound
3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}propanamide
Catalog ID
STK516713
SMILES O=C(Nc1nnc(s1)SCc1ccccc1F)CCN1C(=O)C2C(C1=O)C1CC2C=C1
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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 C21H19FN4O3S2 MW 458.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19FN4O3S2/c22-14-4-2-1-3-13(14)10-30-21-25-24-20(31-21)23-15(27)7-8-26-18(28)16-11-5-6-12(9-11)17(16)19(26)29/h1-6,11-12,16-17H,7-10H2,(H,23,24,27)InChIKey
MALKTGUZANAMBT-UHFFFAOYSA-NSynonyms
3(13dioxo133a477ahexahydro2H47methanoisoindol2yl)N(5((2fluorobenzyl)sulfanyl)134thiadiazol2yl)propanamide
C1C2C=CC1C3C2C(=O)N(C3=O)CCC(=O)NC4=NN=C(S4)SCC5=CC=CC=C5F
InChI=1SC21H19FN4O3S2c2214421313(14)103021252420(3121)2315(27)782618(28)16115612(911)17(16)19(26)29h1611121617H710H2(H232427)
MFCD07413813
ZINC000100954404
ZINC000103180543
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