Vitas-M small molecule compound
4-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexanecarboxamide
Catalog ID
STK389297
SMILES O=C(C1CCC(CC1)N1C(=O)C2C(C1=O)C1C=CC2C2C1C2)Nc1ccc(cc1)Cc1ccncc1
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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 C30H31N3O3 MW 481.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N3O3/c34-28(32-20-5-1-17(2-6-20)15-18-11-13-31-14-12-18)19-3-7-21(8-4-19)33-29(35)26-22-9-10-23(25-16-24(22)25)27(26)30(33)36/h1-2,5-6,9-14,19,21-27H,3-4,7-8,15-16H2,(H,32,34)InChIKey
DBWUIZGNBARRLJ-UHFFFAOYSA-NSynonyms
1005251-34-21005251342
4(13dioxo33a44a55a66aoctahydro46ethenocyclopropa(f)isoindol2(1H)yl)N(4(pyridin4ylmethyl)phenyl)cyclohexanecarboxamide
4(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)N(4(pyridin4ylmethyl)phenyl)cyclohexanecarboxamide
C1CC(CCC1C(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3)N4C(=O)C5C6C=CC(C5C4=O)C7C6C7
InChI=1SC30H31N3O3c3428(32205117(2620)1518111331141218)193721(8419)3329(35)262291023(251624(22)25)27(26)30(33)36h1256914192127H34781516H2(H3234)
MFCD02915648
ZINC000195429842
ZINC000239038392
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