Vitas-M small molecule compound
(3aR,7aS)-2-[1-(3,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl]hexahydro-1H-isoindole-1,3(2H)-dione
Catalog ID
STK311129
SMILES O=C1N(c2ncn(n2)Cc2ccc(c(c2)Cl)Cl)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 C17H16Cl2N4O2 MW 379.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16Cl2N4O2/c18-13-6-5-10(7-14(13)19)8-22-9-20-17(21-22)23-15(24)11-3-1-2-4-12(11)16(23)25/h5-7,9,11-12H,1-4,8H2/t11-,12+InChIKey
PNTHRJGSITVORD-TXEJJXNPSA-NSynonyms
1052576-79-0(3aR7aS)2(1((34dichlorophenyl)methyl)124triazol3yl)3a45677ahexahydroisoindole13dione
(3aR7aS)2(1(34dichlorobenzyl)1H124triazol3yl)hexahydro1Hisoindole13(2H)dione
1052576790
C1CCC2C(C1)C(=O)N(C2=O)C3=NN(C=N3)CC4=CC(=C(C=C4)Cl)Cl
InChI=1SC17H16Cl2N4O2c18136510(714(13)19)82292017(2122)2315(24)11312412(11)16(23)25h5791112H148H2t1112+
MFCD04059192
O=C1N(c2ncn(n2)Cc2ccc(c(c2)Cl)Cl)C(=O)(C@@H)2(C@H)1CCCC2
ZINC000013960175
ZINC13960175
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