Vitas-M small molecule compound

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

Catalog ID
STK311044
SMILES Clc1ccc(c(c1)Cl)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 C17H16Cl2N4O2 MW 379.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16Cl2N4O2/c18-11-6-5-10(14(19)7-11)8-22-9-20-17(21-22)23-15(24)12-3-1-2-4-13(12)16(23)25/h5-7,9,12-13H,1-4,8H2/t12-,13+
InChIKey
LGPKWGVGOZPNPW-BETUJISGSA-N
Synonyms
1052575-11-7
(3aR7aS)2(1(24dichlorobenzyl)1H124triazol3yl)hexahydro1Hisoindole13(2H)dione
(3aS7aR)2(1((24dichlorophenyl)methyl)124triazol3yl)3a45677ahexahydroisoindole13dione
1052575117
C1CCC2C(C1)C(=O)N(C2=O)C3=NN(C=N3)CC4=C(C=C(C=C4)Cl)Cl
Clc1ccc(c(c1)Cl)Cn1cnc(n1)N1C(=O)(C@@H)2(C@H)(C1=O)CCCC2
InChI=1SC17H16Cl2N4O2c18116510(14(19)711)82292017(2122)2315(24)12312413(12)16(23)25h5791213H148H2t1213+
MFCD04058945
ZINC000006828717
ZINC06828717
ZINC6828717

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Available files

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