Vitas-M small molecule compound

(3aR,7aS)-2-[1-(3-chlorobenzyl)-1H-1,2,4-triazol-3-yl]hexahydro-1H-isoindole-1,3(2H)-dione

Catalog ID
STK311166
SMILES Clc1cccc(c1)Cn1cnc(n1)N1C(=O)[C@@H]2[C@H](C1=O)CCCC2

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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 C17H17ClN4O2 MW 344.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17ClN4O2/c18-12-5-3-4-11(8-12)9-21-10-19-17(20-21)22-15(23)13-6-1-2-7-14(13)16(22)24/h3-5,8,10,13-14H,1-2,6-7,9H2/t13-,14+
InChIKey
NHHMVTBQQBVZAR-OKILXGFUSA-N
Synonyms
1052577-17-9
(3aR7aS)2(1(3chlorobenzyl)1H124triazol3yl)hexahydro1Hisoindole13(2H)dione
(3aS7aR)2(1((3chlorophenyl)methyl)124triazol3yl)3a45677ahexahydroisoindole13dione
1052577179
C1CCC2C(C1)C(=O)N(C2=O)C3=NN(C=N3)CC4=CC(=CC=C4)Cl
Clc1cccc(c1)Cn1cnc(n1)N1C(=O)(C@@H)2(C@H)(C1=O)CCCC2
InChI=1SC17H17ClN4O2c181253411(812)921101917(2021)2215(23)13612714(13)16(22)24h358101314H12679H2t1314+
MFCD04059293
ZINC000006828826
ZINC06828826
ZINC6828826

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Available files

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