Vitas-M small molecule compound
(3aR,7aS)-2-[1-(2-fluorobenzyl)-1H-1,2,4-triazol-3-yl]hexahydro-1H-isoindole-1,3(2H)-dione
Catalog ID
STK311157
SMILES O=C1N(c2ncn(n2)Cc2ccccc2F)C(=O)[C@@H]2[C@H]1CCCC2
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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 C17H17FN4O2 MW 328.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17FN4O2/c18-14-8-4-1-5-11(14)9-21-10-19-17(20-21)22-15(23)12-6-2-3-7-13(12)16(22)24/h1,4-5,8,10,12-13H,2-3,6-7,9H2/t12-,13+InChIKey
BTMOQMDCPOAFGL-BETUJISGSA-NSynonyms
1052576-94-9(3aR7aS)2(1((2fluorophenyl)methyl)124triazol3yl)3a45677ahexahydroisoindole13dione
(3aR7aS)2(1(2fluorobenzyl)1H124triazol3yl)hexahydro1Hisoindole13(2H)dione
1052576949
C1CCC2C(C1)C(=O)N(C2=O)C3=NN(C=N3)CC4=CC=CC=C4F
InChI=1SC17H17FN4O2c1814841511(14)921101917(2021)2215(23)12623713(12)16(22)24h1458101213H23679H2t1213+
MFCD04059265
O=C1N(c2ncn(n2)Cc2ccccc2F)C(=O)(C@@H)2(C@H)1CCCC2
ZINC000013960176
ZINC13960176
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